Summary

IMPPAT Phytochemical identifier: IMPHY012916

Phytochemical name: beta-Acorenol

Synonymous chemical names:
β-acorenol

External chemical identifiers:
CID:6430766

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Chemical structure information

SMILES:
C=C1CCC2(CC1)[C@@H](C)CCC2C(O)(C)C

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

InChIKey:
ZHMYLLJMCGLTQY-UEWDXFNNSA-N

DeepSMILES:
C=CCCCCC6))[C@@H]C)CCC5CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2(CCCC2)CC1

Scaffold Graph/Node level:
CC1CCC2(CCCC2)CC1

Scaffold Graph level:
CC1CCC2(CCCC2)CC1

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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: Acorane sesquiterpenoids

NP-Likeness score: 2.796

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Chemical structure download