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Alkaloids

Calyculin A

Also known as (-)-calyculin A, Calyculin-A, Calyculin A from Discodermia calyx

CAS 101932-71-2Formula C50H81N4O15PMolar mass 1,009.19 g/molEC 621-457-8
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant 9 suppliers listed
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Calyculin A chemical structure, C50H81N4O15P, CAS 101932-71-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
101932-71-2
Formula
C50H81N4O15P
Molar mass
1,009.19 g/mol
EC number
621-457-8
HS code
293980
Category
Alkaloids

What is Calyculin A?

Plain description, key identifiers and synonyms

calyculin A has been reported in Lamellomorpha strongylata.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3R,5R,7R,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate
CAS number
101932-71-2 CAS number cross-checked
EC number
621-457-8
Molecular formula
C50H81N4O15P
UNII
7D07U14TK3
MDL number
MFCD06795864
InChIKey
FKAWLXNLHHIHLA-YCBIHMBMSA-N
InChI
InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1
SMILES
C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C/C=C/C(=C\C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O

Synonyms

  • (-)-calyculin A
  • Calyculin-A
  • Calyculin A from Discodermia calyx
  • Calyculin A from Discodermia calyx, >=90% (HPLC)
  • Calyculin A from Discodermia calyx, >=90% (HPLC), solid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,009.19 g/molcalc.
Exact mass
1,008.5436 Dacalc.
LogP (octanol/water)
4.69calc.
Topological polar surface area
287 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
26calc.
Heavy atoms
70calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
15calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C(=Cc1cocn1)CC1CCCC2(CCCO2)O1

C(=Cc1cocn1)CC1CCCC2(CCCO2)O1

3 rings, 18 atoms.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H315Causes skin irritation.
  • H331Toxic if inhaled.
Precautionary statements (18)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Calyculin A suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 9 suppliers
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Where suppliers are based

9 suppliers in 6 countries

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Calyculin A price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Carcinogens
  • Enzyme Inhibitors
  • Vasoconstrictor Agents

Roles

  • animal metabolite
  • enzyme inhibitor
  • eukaryotic metabolite
  • marine metabolite
  • metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Calyculin A is traded under.

HS 2939.80Indicative HS code

Natural or reproduced by synthesis, and their salts, esters and other derivatives not elsewhere classified…

World exports in 2024
$49.3M
+13.2% vs 2023, imports $61.4M
2019 to 2024
Top exporters
  1. China31.7%
  2. India * partner reported23.1%
  3. South Africa7.8%
Top importers
  1. Austria28.6%
  2. United States11.9%
  3. United Kingdom7.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Calyculin A is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Calyculin A, based on the data on this page

What is Calyculin A?

calyculin A has been reported in Lamellomorpha strongylata.

What is the CAS number of Calyculin A?

The CAS registry number of Calyculin A is 101932-71-2.

What is the molecular formula and weight of Calyculin A?

The molecular formula of Calyculin A is C50H81N4O15P and its molar mass is 1,009.19 g/mol.

What is Calyculin A used for?

Known uses and roles of Calyculin A include biochemical and pharmacological tools in research and laboratory, animal metabolite, enzyme inhibitor, eukaryotic metabolite, marine metabolite and 4 more.

Is Calyculin A hazardous?

Calyculin A carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Calyculin A?

Calyculin A is usually classified under HS code 293980 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Calyculin A?

CompoundList lists 9 suppliers of Calyculin A in United States, China, France, United Kingdom and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Calyculin A?

Suppliers quote Calyculin A on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Calyculin A

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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