Summary

IMPPAT Phytochemical identifier: IMPHY002513

Phytochemical name: (1S,5S,9R)-9-Isopropyl-1-methyl-6-methylenespiro[4.5]decan-1-ol

Synonymous chemical names:
spirojatamol

External chemical identifiers:
CID:14587119

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Chemical structure information

SMILES:
CC(C1CCC(=C)C2(C1)CCCC2(C)O)C

InChI:
InChI=1S/C15H26O/c1-11(2)13-7-6-12(3)15(10-13)9-5-8-14(15,4)16/h11,13,16H,3,5-10H2,1-2,4H3

InChIKey:
AEUBOEQPIBOTGP-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C)CC6)CCCC5C)O))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC12CCCC2

Scaffold Graph/Node level:
CC1CCCCC12CCCC2

Scaffold Graph level:
CC1CCCCC12CCCC2

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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: Sesquiterpenoids

NP Classifier Class: Guaiane sesquiterpenoids

NP-Likeness score: 2.572

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Chemical structure download