Summary

IMPPAT Phytochemical identifier: IMPHY011063

Phytochemical name: 6,9-Guaiadiene

Synonymous chemical names:
6,9-guaiadiene

External chemical identifiers:
CID:527113

---

Chemical structure information

SMILES:
CC(C1=CCC(C2=C(C1)C(C)CC2)C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h7,10-12H,5-6,8-9H2,1-4H3

InChIKey:
IFJYSOWCCJPUJS-UHFFFAOYSA-N

DeepSMILES:
CCC=CCCC=CC7)CC)CC5)))))C)))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2=C(CC1)CCC2

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

---

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: Guaiane sesquiterpenoids

NP-Likeness score: 2.283

---

Chemical structure download