Summary

IMPPAT Phytochemical identifier: IMPHY017533

Phytochemical name: Tricyclo[3.2.1.02,7]oct-3-ene, 2,3,4,5-tetramethyl-

Synonymous chemical names:
2,3,4,5-tetramethyl

External chemical identifiers:
CID:590290

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Chemical structure information

SMILES:
CC1=C(C)C2(C)C3CC1(C)CC23

InChI:
InChI=1S/C12H18/c1-7-8(2)12(4)9-5-11(7,3)6-10(9)12/h9-10H,5-6H2,1-4H3

InChIKey:
IAEUJFDBZCCVRV-UHFFFAOYSA-N

DeepSMILES:
CC=CC)CC)CCC6C)CC65

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CC1CC23

Scaffold Graph/Node level:
C1CC2C3CC1CC23

Scaffold Graph level:
C1CC2C3CC1CC23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.184

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Chemical structure download