Summary

IMPPAT Phytochemical identifier: IMPHY002466

Phytochemical name: Cyclocopacamphenic acid

Synonymous chemical names:
cyclocopacamphenic acid, epicyclocopacamphenic acid

External chemical identifiers:
CID:101603242

---

Chemical structure information

SMILES:
CC(C1CCC2(C3C1C1C(C21C)C3)C)C(=O)O

InChI:
InChI=1S/C15H22O2/c1-7(13(16)17)8-4-5-14(2)9-6-10-12(11(8)9)15(10,14)3/h7-12H,4-6H2,1-3H3,(H,16,17)

InChIKey:
KNVWMYZTGDUOHT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6CCC63C))C5)))))C)))))C=O)O

Functional groups:
CC(=O)O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3CC4C2C4C3C1

Scaffold Graph/Node level:
C1CC2C3CC4C2C4C3C1

Scaffold Graph level:
C1CC2C3CC4C2C4C3C1

---

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: Santalane sesquiterpenoids

NP-Likeness score: 2.615

---

Chemical structure download