Summary

IMPPAT Phytochemical identifier: IMPHY017817

Phytochemical name: ((1R,4S,5R)-1-Methyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-en-8-yl)methanol

Synonymous chemical names:
β-acoradienol

External chemical identifiers:
CID:91714964

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Chemical structure information

SMILES:
OCC1=CCC2(CC1)C(C)CCC2C(=C)C

InChI:
InChI=1S/C15H24O/c1-11(2)14-5-4-12(3)15(14)8-6-13(10-16)7-9-15/h6,12,14,16H,1,4-5,7-10H2,2-3H3

InChIKey:
KBMDEJULGPFFGC-UHFFFAOYSA-N

DeepSMILES:
OCC=CCCCC6))CC)CCC5C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2(CC1)CCCC2

Scaffold Graph/Node level:
C1CCC2(CC1)CCCC2

Scaffold Graph level:
C1CCC2(CC1)CCCC2

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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: 3.46

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Chemical structure download