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Screening compounds

Adhyperforin

Also known as (1R,5S,6R,7S)-4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)bicyclo(3.3.1)non-3-ene-2,9-dione, Bicyclo(3.3.1)non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-, adhyperforine

CAS 143183-63-5Formula C36H54O4Molar mass 550.82 g/mol
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Adhyperforin chemical structure, C36H54O4, CAS 143183-63-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
143183-63-5
Formula
C36H54O4
Molar mass
550.82 g/mol
HS code
291429
Category
Screening compounds

What is Adhyperforin?

Plain description, key identifiers and synonyms

adhyperforin has been reported in Hypericum henryi.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,5R,7S,8R)-4-hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
CAS number
143183-63-5
Molecular formula
C36H54O4
UNII
EC9K3C78V8
InChIKey
MGKCAFQXBAFOSW-ACJQSPJVSA-N
InChI
InChI=1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,38H,12-13,17-18,20-22H2,1-11H3/t27?,28-,34+,35+,36-/m0/s1
Canonical SMILES
CCC(C)C(=O)C12C(=O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O
Isomeric SMILES
CCC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C

Synonyms

  • (1R,5S,6R,7S)-4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)bicyclo(3.3.1)non-3-ene-2,9-dione
  • Bicyclo(3.3.1)non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-
  • adhyperforine

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
550.82 g/molcalc.
Exact mass
550.4022 Dacalc.
LogP (octanol/water)
9.38calc.
Topological polar surface area
71.44 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
12calc.
Heavy atoms
40calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 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, O=C1C=CC2CCCC1C2=O

O=C1C=CC2CCCC1C2=O

2 rings, 11 atoms.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Adhyperforin suppliers

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Where suppliers are based

1 supplier in 1 country

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Adhyperforin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 Adhyperforin is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Adhyperforin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Adhyperforin, based on the data on this page

What is Adhyperforin?

adhyperforin has been reported in Hypericum henryi.

What is the CAS number of Adhyperforin?

The CAS registry number of Adhyperforin is 143183-63-5.

What is the molecular formula and weight of Adhyperforin?

The molecular formula of Adhyperforin is C36H54O4 and its molar mass is 550.82 g/mol.

What is Adhyperforin used for?

Known uses and roles of Adhyperforin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Adhyperforin hazardous?

No GHS hazard classification for Adhyperforin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Adhyperforin?

Adhyperforin is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Adhyperforin?

CompoundList lists 1 supplier of Adhyperforin in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Adhyperforin?

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

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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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