Summary

IMPPAT Phytochemical identifier: IMPHY010693

Phytochemical name: Cyclocopacamphene

Synonymous chemical names:
cyclocopacamphene

Chemical structure information

SMILES:
CC(C1=CCC2([C@@H]3C1C1C([C@@]21C)C3)C)C

InChI:
InChI=1S/C15H22/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h5,8,10-13H,6-7H2,1-4H3/t10-,11?,12?,13?,14?,15+/m0/s1

InChIKey:
JCDDQPKDRPLSOK-VLURXVRISA-N

DeepSMILES:
CCC=CCC[C@@H]C6CC[C@@]63C))C5)))))C)))))C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CC4C2C4C3C1

Scaffold Graph/Node level:
C1CC2C3CC4C2C4C3C1

Scaffold Graph level:
C1CC2C3CC4C2C4C3C1

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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: Santalane sesquiterpenoids

NP-Likeness score: 2.534

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Chemical structure download