Summary

IMPPAT Phytochemical identifier: IMPHY016893

Phytochemical name: 3,3-Dimethyl-9-methylidenetricyclo[5.4.0.02,8]undecane

Synonymous chemical names:
β−longipinene

External chemical identifiers:
CID:524195

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Chemical structure information

SMILES:
C=C1CCC2C3C1C2C(C)(C)CCC3

InChI:
InChI=1S/C14H22/c1-9-6-7-11-10-5-4-8-14(2,3)13(11)12(9)10/h10-13H,1,4-8H2,2-3H3

InChIKey:
VJRRUPHSDRBMPP-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6C4CC)C)CCC7

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C3CCCCC2C13

Scaffold Graph/Node level:
CC1CCC2C3CCCCC2C13

Scaffold Graph level:
CC1CCC2C3CCCCC2C13

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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: Longipinane sesquiterpenoids

NP-Likeness score: 2.64

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Chemical structure download