Summary

IMPPAT Phytochemical identifier: IMPHY015482

Phytochemical name: Amorpha-4,7(11)-dien-8-one

Synonymous chemical names:
amorpha-4,7(11)-dien-8-one

External chemical identifiers:
CID:91747340

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Chemical structure information

SMILES:
CC1=CC2C(CC1)[C@H](C)CC(=O)C2=C(C)C

InChI:
InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h7,11-13H,5-6,8H2,1-4H3/t11-,12?,13?/m1/s1

InChIKey:
QUSMBBMIOONIAC-PNESKVBLSA-N

DeepSMILES:
CC=CCCCC6))[C@H]C)CC=O)C6=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)CCC2CCC=CC12

Scaffold Graph/Node level:
CC1C(O)CCC2CCCCC21

Scaffold Graph level:
CC1CCC2CCCCC2C1C

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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: 2.148

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Chemical structure download