Summary

IMPPAT Phytochemical identifier: IMPHY013397

Phytochemical name: Elliptinol

Synonymous chemical names:
elliptinol

External chemical identifiers:
CID:44257418

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)OCC1C2C(O)c2c(O1)c1ccoc1cc2

InChI:
InChI=1S/C20H18O6/c1-22-15-7-12-14(8-16(15)23-2)25-9-17-18(12)19(21)11-3-4-13-10(5-6-24-13)20(11)26-17/h3-8,17-19,21H,9H2,1-2H3

InChIKey:
ZVEDKPGZOXEGTK-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))OCCC6CO)ccO6)cccoc5cc9

Functional groups:
CO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCC1Oc3c(ccc4occc34)CC21

Scaffold Graph/Node level:
C1CCC2C(C1)OCC1OC3C(CCC4OCCC43)CC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CC3C(CCC4CCCC43)CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Rotenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Rotenoids

NP-Likeness score: 1.765

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Chemical structure download