Summary

IMPPAT Phytochemical identifier: IMPHY017591

Phytochemical name: 13-nor-Eremophila-1(10),6-dien-11-one

Synonymous chemical names:
13-nor-eremophil-1(10),6-dien-11-one

External chemical identifiers:
CID:6428350

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Chemical structure information

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

InChI:
InChI=1S/C14H20O/c1-10-5-4-6-13-8-7-12(11(2)15)9-14(10,13)3/h6,9-10H,4-5,7-8H2,1-3H3/t10-,14+/m1/s1

InChIKey:
KPRMOLFSYHPJAW-YGRLFVJLSA-N

DeepSMILES:
CC=O)C=C[C@@]C=CCC[C@H]6C)))))CC6)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC=C2CC1

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: Eremophilane sesquiterpenoids

NP-Likeness score: 2.311

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Chemical structure download