Summary

IMPPAT Phytochemical identifier: IMPHY011791

Phytochemical name: (-)-gamma-Cadinene

Synonymous chemical names:
(-)-γ-cadinene

External chemical identifiers:
CID:92313, ChEBI:63203, FDASRS:2GHT32E0JU, SureChEMBL:SCHEMBL316840

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Chemical structure information

SMILES:
CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1

InChIKey:
WRHGORWNJGOVQY-RBSFLKMASA-N

DeepSMILES:
CC=C[C@H][C@H]CC6))C=C)CC[C@@H]6CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CCCC12

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: 3.085

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Chemical structure download