Summary

IMPPAT Phytochemical identifier: IMPHY010864

Phytochemical name: Trifolian

Synonymous chemical names:
trifolian

External chemical identifiers:
CID:44257476, ChEBI:174454

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Chemical structure information

SMILES:
COc1c(O)cc2c(c1O)C1Oc3c(C1CO2)cc1c(c3)OCO1

InChI:
InChI=1S/C17H14O7/c1-20-17-9(18)3-13-14(15(17)19)16-8(5-21-13)7-2-11-12(23-6-22-11)4-10(7)24-16/h2-4,8,16,18-19H,5-6H2,1H3

InChIKey:
PCVFSIAOIHIYNK-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6O))COccC5CO9)))cccc6)OCO5

Functional groups:
c1cOCO1, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)OCC1C3CC4OCOC4CC3OC21

Scaffold Graph level:
C1CC2CC3CC4C5CCCCC5CCC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Furanoisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Pterocarpan

NP-Likeness score: 2.172

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Chemical structure download