Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006392

Phytochemical name: Isogeijerene C

Synonymous chemical names:
isogeijerene c, Isogeijerene C

External chemical identifiers:
CID:CID_85863764

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Chemical structure information

SMILES:
C=CC1(C)CCC=CC1=C(C)C

InChI:
InChI=1S/C12H18/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5-6,8H,1,7,9H2,2-4H3

InChIKey:
DDDUDPZNWNWAHI-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCC=CC6=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Elemane sesquiterpenoids

NP-Likeness score: 1.998

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Chemical structure download