Summary

IMPPAT Phytochemical identifier: IMPHY016849

Phytochemical name: Selina-3,11-dien-9-ol

Synonymous chemical names:
selina-3,11-dien-9-ol

External chemical identifiers:
CID:529459

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Chemical structure information

SMILES:
CC1=CCCC2(C1CC(CC2O)C(=C)C)C

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

InChIKey:
IVRQVIHZMLFDBK-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6CCCC6O)))C=C)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=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.244

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Chemical structure download