Summary

IMPPAT Phytochemical identifier: IMPHY016514

Phytochemical name: Amorpha-4,9-dien-2-ol

Synonymous chemical names:
amorpha-4,9-dien-2-ol, amorpha-4,9dien-2-ol

External chemical identifiers:
CID:91747869

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Chemical structure information

SMILES:
CC1=CC2C(C(C1)O)C(=CC[C@@H]2C(C)C)C

InChI:
InChI=1S/C15H24O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h5,7,9,12-16H,6,8H2,1-4H3/t12-,13?,14?,15?/m1/s1

InChIKey:
STLBTFMCSOXEAQ-AUXXQLBISA-N

DeepSMILES:
CC=CCCCC6)O))C=CC[C@@H]6CC)C)))))C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC=CC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 3.005

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Chemical structure download