Summary

IMPPAT Phytochemical identifier: IMPHY012912

Phytochemical name: trans-gamma-Cadinene

Synonymous chemical names:
trans-γ-cadinene

External chemical identifiers:
CID:6429304

---

Chemical structure information

SMILES:
C=C1CCC2C(C1)[C@H](CC=C2C)C(C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,10,13-15H,3,5,7-9H2,1-2,4H3/t13-,14?,15?/m1/s1

InChIKey:
COEMCKKNQLRLNH-WLYUNCDWSA-N

DeepSMILES:
C=CCCCCC6)[C@H]CC=C6C))))CC)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C=CCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

---

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: 2.994

---

Chemical structure download