Summary

IMPPAT Phytochemical identifier: IMPHY008351

Phytochemical name: 18-Deoxysagittarol

Synonymous chemical names:
kolavelool

External chemical identifiers:
CID:12305526, SureChEMBL:SCHEMBL16984863

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Chemical structure information

SMILES:
C=CC(CCC1(C)C(C)CCC2(C1CCC=C2C)C)(O)C

InChI:
InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3

InChIKey:
YBDUXZKWDIUNSG-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC)CC)CCCC6CCC=C6C))))))C))))))))O)C

Functional groups:
C=CC, 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: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Colensane and Clerodane diterpenoids

NP-Likeness score: 3.358

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Chemical structure download