Summary

IMPPAT Phytochemical identifier: IMPHY015483

Phytochemical name: Amorpha-4,7-dien-11-ol

Synonymous chemical names:
amorpha-4,7-dien-11-ol

External chemical identifiers:
CID:91747342

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Chemical structure information

SMILES:
CC1=CC2C(CC1)[C@@H](C)CC=C2C(O)(C)C

InChI:
InChI=1S/C15H24O/c1-10-5-7-12-11(2)6-8-14(13(12)9-10)15(3,4)16/h8-9,11-13,16H,5-7H2,1-4H3/t11-,12?,13?/m0/s1

InChIKey:
NDCHPLODETXAFI-HIFPTAJRSA-N

DeepSMILES:
CC=CCCCC6))[C@@H]C)CC=C6CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C=CCCC2CC1

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: 2.482

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Chemical structure download