Summary

IMPPAT Phytochemical identifier: IMPHY017209

Phytochemical name: cis-1,2,3,5,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylethylidene)naphthalene

Synonymous chemical names:
eremophila-1(10),7(11)-diene

External chemical identifiers:
CID:21591454, SureChEMBL:SCHEMBL11822862

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Chemical structure information

SMILES:
CC(=C1CCC2=CCC[C@@H]([C@]2(C1)C)C)C

InChI:
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12H,5-6,8-10H2,1-4H3/t12-,15+/m0/s1

InChIKey:
USADAYYQBBHRCI-SWLSCSKDSA-N

DeepSMILES:
CC=CCCC=CCC[C@@H][C@]6C%10)C))C)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2=CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 2.812

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Chemical structure download