Summary

IMPPAT Phytochemical identifier: IMPHY016572

Phytochemical name: naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (1R,4aS,8aR)-

Synonymous chemical names:
cis-eudesma-6,11-diene

External chemical identifiers:
CID:639284, ZINC:ZINC000136760741

---

Chemical structure information

SMILES:
C[C@@H]1CCC[C@@]2([C@H]1C=C(CC2)C(=C)C)C

InChI:
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10,12,14H,1,5-9H2,2-4H3/t12-,14+,15+/m1/s1

InChIKey:
GZTVOICLUQHEMR-SNPRPXQTSA-N

DeepSMILES:
C[C@@H]CCC[C@@][C@H]6C=CCC6))C=C)C)))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.42

---

Chemical structure download