Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001705

Phytochemical name: Copaborneol

Synonymous chemical names:
(1S,2R,5S,6S,7R,8S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,8]decan-7-ol, copaborneol

External chemical identifiers:
CID:CID_101289803

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Chemical structure information

SMILES:
CC([C@@H]1CC[C@@]2([C@@H]3[C@H]1[C@@H](O)[C@@]2(C)CC3)C)C

InChI:
InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(14,4)13(16)12(10)11/h9-13,16H,5-8H2,1-4H3/t10-,11-,12-,13+,14?,15+/m0/s1

InChIKey:
OKGYYQFRSOUSFJ-MCWXHMCKSA-N

DeepSMILES:
CC[C@@H]CC[C@@][C@@H][C@H]6[C@@H]O)[C@@]5C)CC6))))))C)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCC2C3C1

Scaffold Graph/Node level:
C1CC2CC3CCC2C3C1

Scaffold Graph level:
C1CC2CC3CCC2C3C1

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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: Isodaucane sesquiterpenoids

NP-Likeness score: 2.489

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Chemical structure download