Summary

IMPPAT Phytochemical identifier: IMPHY000438

Phytochemical name: Angelicoidenol

Synonymous chemical names:
(+)-angelicoidenol, angelicoidenol

External chemical identifiers:
CID:101254152

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Chemical structure information

SMILES:
O[C@@H]1CC2(C(C1C[C@@H]2O)(C)C)C

InChI:
InChI=1S/C10H18O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3/t6?,7-,8+,10?/m1/s1

InChIKey:
HLVIHBJQDKVEAL-CINMIUTLSA-N

DeepSMILES:
O[C@@H]CCCC5C[C@@H]5O))))C)C))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids

NP-Likeness score: 2.767

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Chemical structure download