Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018218

Phytochemical name: Spiro[4.5]dec-8-en-7-ol, 1,8-dimethyl-4-(1-methylethyl)-

Synonymous chemical names:
Spiro[4.5]dec-8-en-7-ol, 1,8-dimethyl-4-(1-methylethyl)-

External chemical identifiers:
CID:CID_592066

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Chemical structure information

SMILES:
OC1CC2(CC=C1C)C(C)CCC2C(C)C

InChI:
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-14,16H,5-6,8-9H2,1-4H3

InChIKey:
WBVRKDUUNZBZET-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=C6C))))CC)CCC5CC)C

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

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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: 3.102

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Chemical structure download