Summary

IMPPAT Phytochemical identifier: IMPHY007272

Phytochemical name: 1-Methyl-5-methylidene-9-propan-2-yltricyclo[4.4.0.02,8]dec-3-ene

Synonymous chemical names:
(+)-copadiene

External chemical identifiers:
CID:91748745

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Chemical structure information

SMILES:
CC(C1CC2(C3C1CC2C(=C)C=C3)C)C

InChI:
InChI=1S/C15H22/c1-9(2)12-8-15(4)13-6-5-10(3)14(15)7-11(12)13/h5-6,9,11-14H,3,7-8H2,1-2,4H3

InChIKey:
QCLBLMICOAAQOH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5CC5C=C)C=C7)))))))C))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC2C3CCC2C1C3

Scaffold Graph/Node level:
CC1CCC2C3CCC2C1C3

Scaffold Graph level:
CC1CCC2C3CCC2C1C3

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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: Copaane sesquiterpenoids

NP-Likeness score: 2.804

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Chemical structure download