Summary

IMPPAT Phytochemical identifier: IMPHY012595

Phytochemical name: Cyclocopacamphenol

Synonymous chemical names:
cyclocopacamphenol

External chemical identifiers:
CID:527162

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Chemical structure information

SMILES:
OCC(C1CCC2(C3C1C1C(C21C)C3)C)C

InChI:
InChI=1S/C15H24O/c1-8(7-16)9-4-5-14(2)10-6-11-13(12(9)10)15(11,14)3/h8-13,16H,4-7H2,1-3H3

InChIKey:
TUWGUUUUJAXUPF-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCC6CCC63C))C5)))))C)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3CC4C2C4C3C1

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: Sativane sesquiterpenoids, Sinularane sesquiterpenoids

NP-Likeness score: 3.002

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Chemical structure download