Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018119

Phytochemical name: Bicyclo[5.2.0]nonane, 2-methylene-4,8,8-trimethyl-4-vinyl-

Synonymous chemical names:
Bicyclo[5.2.0]nonane, 2-methylene-4,8,8-trimethyl-4-vinyl-

External chemical identifiers:
CID:CID_564746

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Chemical structure information

SMILES:
C=CC1(C)CCC2C(C(=C)C1)CC2(C)C

InChI:
InChI=1S/C15H24/c1-6-15(5)8-7-13-12(11(2)9-15)10-14(13,3)4/h6,12-13H,1-2,7-10H2,3-5H3

InChIKey:
FITHEODIIYWPLM-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCCCC=C)C7))CC4C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC2CCC12

Scaffold Graph/Node level:
CC1CCCCC2CCC12

Scaffold Graph level:
CC1CCCCC2CCC12

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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: Sesquiterpenoids

NP Classifier Class: Caryophyllane sesquiterpenoids

NP-Likeness score: 3.454

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Chemical structure download