Summary

IMPPAT Phytochemical identifier: IMPHY015472

Phytochemical name: Albicanol

Synonymous chemical names:
albicanol

External chemical identifiers:
CID:171360, ChEBI:155904, SureChEMBL:SCHEMBL7760094

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Chemical structure information

SMILES:
OC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C

InChI:
InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,15+/m0/s1

InChIKey:
ZPTSRWNMMWXEHX-KCQAQPDRSA-N

DeepSMILES:
OC[C@H]C=C)CC[C@@H][C@]6C)CCCC6C)C

Functional groups:
C=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Drimane sesquiterpenoids

NP-Likeness score: 3.253

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Chemical structure download