Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015872

Phytochemical name: Sophoracarpan A

Synonymous chemical names:
sophoracarpan a, Sophoracarpan A

External chemical identifiers:
CID:CID_44257494

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Chemical structure information

SMILES:
COC1Oc2cc(O)ccc2C2C1c1ccc(cc1O2)OC

InChI:
InChI=1S/C17H16O5/c1-19-10-4-6-11-14(8-10)21-16-12-5-3-9(18)7-13(12)22-17(20-2)15(11)16/h3-8,15-18H,1-2H3

InChIKey:
VDHFFCPQILOKFG-UHFFFAOYSA-N

DeepSMILES:
COCOcccO)ccc6CC%10cccccc6O9)))OC

Functional groups:
cOC(OC)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: 1.601

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Chemical structure download