Summary

IMPPAT Phytochemical identifier: IMPHY002469

Phytochemical name: Sagittariol

Synonymous chemical names:
sagittariol

External chemical identifiers:
CID:101603339, ChEBI:170117

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Chemical structure information

SMILES:
OCC1=CCCC2C1(C)CCC(C2(C)CCC(C=C)(O)C)C

InChI:
InChI=1S/C20H34O2/c1-6-18(3,22)12-13-19(4)15(2)10-11-20(5)16(14-21)8-7-9-17(19)20/h6,8,15,17,21-22H,1,7,9-14H2,2-5H3

InChIKey:
VAQFTHFEFSWPGQ-UHFFFAOYSA-N

DeepSMILES:
OCC=CCCCC6C)CCCC6C)CCCC=C))O)C)))))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: 3.482

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Chemical structure download