Summary

IMPPAT Phytochemical identifier: IMPHY006638

Phytochemical name: Ardisianol

Synonymous chemical names:
ardisianol

External chemical identifiers:
CID:71439480

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(Cc1cc(OC(=O)C)cc(c1O)OC)OC(=O)C

InChI:
InChI=1S/C26H42O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-23(31-20(2)27)17-22-18-24(32-21(3)28)19-25(30-4)26(22)29/h18-19,23,29H,5-17H2,1-4H3

InChIKey:
OMHIXEBZMDUQSU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCcccOC=O)C)))ccc6O))OC))))))))OC=O)C

Functional groups:
COC(C)=O, cO, cOC, cOC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.997

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Chemical structure download