Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006465

Phytochemical name: omega-Cadinene

Synonymous chemical names:
ω-cadinene, omega-cadinene

External chemical identifiers:
CID:CID_10375655

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Chemical structure information

SMILES:
CC1=CCC2=C(C)CCC(C2C1)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,6-9H2,1-4H3

InChIKey:
SUSBMOMALMMAGH-UHFFFAOYSA-N

DeepSMILES:
CC=CCC=CC)CCCC6C%10))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCC=C2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: 2.25

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Chemical structure download