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(+)-Decursinol chemical structure, C14H14O4, CAS 23458-02-8
2D chemical structure

Key facts

What buyers check first

CAS number
23458-02-8
Formula
C14H14O4
Molar mass
246.26 g/mol
EC number
111-883-8
HS code
293220
Category
Cosmetic antioxidants

What is (+)-Decursinol?

Plain description, key identifiers and synonyms

Decursinol is an organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). It has a role as a metabolite, an analgesic, an antineoplastic agent and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a delta-lactone, an organic heterotricyclic compound, a secondary alcohol and a cyclic ether.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
CAS number
23458-02-8 CAS number cross-checked
EC number
111-883-8
Molecular formula
C14H14O4
UNII
UBI4YB704B
MDL number
MFCD06636641
INCI name
DECURSINOL
InChIKey
BGXFQDFSVDZUIW-LBPRGKRZSA-N
InChI
InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1
Canonical SMILES
CC1(C)Oc2cc3oc(=O)ccc3cc2CC1O
Isomeric SMILES
CC1([C@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C

Synonyms

  • Decursinol
  • Smyrinol
  • Smirino
  • SFE decursinol
  • (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
  • 2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 7,8-dihydro-7-hydroxy-8,8-dimethyl-, (S)-
  • 2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 7,8-dihydro-7-hydroxy-8,8-dimethyl-, (S)-(+)-
  • (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano(3,2-g)chromen-8-one
  • (S)-(+)-decursinol
  • (S)-7-hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one
  • (7S)-7-hydroxy-8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one
  • (S)-7-hydroxy-8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromen-2(6H)-one
  • (7S)-7,8-dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one
  • (S)-7-Hydroxy-8,8-dimethyl-7,8-dihydropyrano(3,2-g)chromen-2(6H)-one
  • Decursinol (Standard)
  • (+)-3'S-decursinol
  • (+)-3'-hydroxy-3',4'-dihydroxanthyletin
  • 7-Hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one #
  • (7S)-7-Hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one
  • (7S)-7-hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one
  • (S)-7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one
  • 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-7-hydroxy-8,8-dimethyl-, (7S)-

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
246.26 g/molcalc.
Exact mass
246.0892 Dacalc.
LogP (octanol/water)
1.87calc.
Topological polar surface area
59.67 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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=c1ccc2cc3c(cc2o1)OCCC3

O=c1ccc2cc3c(cc2o1)OCCC3

3 rings, 15 atoms.

39 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • 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

(+)-Decursinol suppliers

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Where suppliers are based

5 suppliers in 2 countries

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(+)-Decursinol 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

Cosmetic ingredient, INCI name DECURSINOL(antioxidant, skin conditioning)

Roles

  • analgesic
  • antineoplastic agent
  • enzyme inhibitor
  • metabolite
  • pharmaceutical

Functional uses

  • Antioxidant
  • Softener and conditioner

Cosmetic functions

  • Antioxidant
  • Skin conditioning

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code (+)-Decursinol is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about (+)-Decursinol, based on the data on this page

What is (+)-Decursinol?

Decursinol is an organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8.

Is (+)-Decursinol hazardous?

(+)-Decursinol carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

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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