Summary

IMPPAT Phytochemical identifier: IMPHY001998

Phytochemical name: Phaseollidin

Synonymous chemical names:
(-)-phaseollidin, phaseolidin, phaseollidin

External chemical identifiers:
CID:119268, ChEMBL:CHEMBL508534, ChEBI:17556, ZINC:ZINC000000895662, SureChEMBL:SCHEMBL1545850, MolPort-023-298-969

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Chemical structure information

SMILES:
CC(=CCc1c(O)ccc2c1O[C@@H]1[C@H]2COc2c1ccc(c2)O)C

InChI:
InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1

InChIKey:
OFWYIUYVHYPQNX-JXFKEZNVSA-N

DeepSMILES:
CC=CCccO)cccc6O[C@@H][C@H]5COcc6cccc6)O)))))))))))))))))))C

Functional groups:
CC=C(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1c3ccccc3OCC21

Scaffold Graph/Node level:
C1CCC2C(C1)OC1C3CCCCC3OCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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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: 2.658

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Chemical structure download