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Heterocyclic compounds

Stigmatellin

Also known as stigmatellin a, 2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-Dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one, 2-((3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methyl-chromen-4-one

CAS 91682-96-1Formula C30H42O7Molar mass 514.66 g/molEC 620-944-2
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 1 supplier listed
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Stigmatellin chemical structure, C30H42O7, CAS 91682-96-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
91682-96-1
Formula
C30H42O7
Molar mass
514.66 g/mol
EC number
620-944-2
HS code
293299
Category
Heterocyclic compounds

What is Stigmatellin?

Plain description, key identifiers and synonyms

Stigmatellin A is a member of the class of chromones that is isolated from Stigmatella aurantiaca Sg a15. It has a role as a quinol oxidation site inhibitor and a bacterial metabolite. It is a member of chromones, a member of phenols, an aromatic ether and an olefinic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one
CAS number
91682-96-1 CAS number cross-checkedOther or deprecated CAS: 94234-27-2
EC numbers
620-944-2, 804-540-5
Molecular formula
C30H42O7
InChIKey
UZHDGDDPOPDJGM-CVOZLMQJSA-N
InChI
InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1
Canonical SMILES
CC=C(C)C=CC=CC(OC)C(C)C(OC)C(C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C
Isomeric SMILES
C/C=C(\C)/C=C/C=C/[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)C2=C(O1)C(=C(C=C2OC)OC)O)C)OC)OC

Synonyms

  • stigmatellin a
  • 2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-Dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one
  • 2-((3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methyl-chromen-4-one
  • 2-((3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one
  • 2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methyl-chromen-4-one
  • 4H-1-Benzopyran-4-one, 2-(4,6-dimethoxy-3,5,11-trimethyl-7,9,11-tridecatrienyl)-8-hydroxy-5,7-dimethoxy-3-methyl-
  • 2-((7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one
  • 2yiu
  • 2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trien-1-yl]-8-hydroxy-5,7-dimethoxy-3-methyl-4H-chromen-4-one

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
514.66 g/molcalc.
Exact mass
514.2931 Dacalc.
LogP (octanol/water)
6.14calc.
Topological polar surface area
87.36 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
13calc.
Heavy atoms
37calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
4calc.
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=c1ccoc2ccccc12

O=c1ccoc2ccccc12

2 rings, 11 atoms, the Chromone ring system.

1,163 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)

Hazard statements

  • H300Fatal if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

Stigmatellin suppliers

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  • EvitaChem
    China, BeijingUnclaimed profile
    StigmatellinGrade, purity and minimum order on request
    Price on request
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Stigmatellin 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

Pharmacological actions

  • Anti-Bacterial Agents

Roles

  • bacterial metabolite
  • metabolite
  • prokaryotic metabolite
  • quinol oxidation site inhibitor

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 Stigmatellin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Stigmatellin?

Stigmatellin A is a member of the class of chromones that is isolated from Stigmatella aurantiaca Sg a15. It has a role as a quinol oxidation site inhibitor and a bacterial metabolite. It is a member of chromones, a member of phenols, an aromatic ether and an olefinic compound.

What is the CAS number of Stigmatellin?

The CAS registry number of Stigmatellin is 91682-96-1. Other or deprecated CAS numbers: 94234-27-2.

What is the molecular formula and weight of Stigmatellin?

The molecular formula of Stigmatellin is C30H42O7 and its molar mass is 514.66 g/mol.

What is Stigmatellin used for?

Known uses and roles of Stigmatellin include bacterial metabolite, metabolite, prokaryotic metabolite, quinol oxidation site inhibitor and anti-bacterial agents.

Is Stigmatellin hazardous?

Stigmatellin carries the GHS signal word "Danger". Main hazards: fatal if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Stigmatellin?

Stigmatellin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Stigmatellin?

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

What is the price of Stigmatellin?

Suppliers quote Stigmatellin 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

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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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