Summary

IMPPAT Phytochemical identifier: IMPHY016894

Phytochemical name: gamma2-Cadinene

Synonymous chemical names:
γ-2-cadinene

External chemical identifiers:
CID:91748321

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Chemical structure information

SMILES:
CC1=CCC2C(C1)[C@@H](CCC2=C)C(C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,10,13-15H,4,6-9H2,1-3H3/t13-,14?,15?/m0/s1

InChIKey:
YOCDGWMCBBMMGJ-NFOMZHRRSA-N

DeepSMILES:
CC=CCCCC6)[C@@H]CCC6=C))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC=CCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 2.816

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Chemical structure download