Summary

IMPPAT Phytochemical identifier: IMPHY011131

Phytochemical name: Sophoracarpan B

Synonymous chemical names:
sophoracarpan b

External chemical identifiers:
CID:14704594

---

Chemical structure information

SMILES:
COC1Oc2cc(O)ccc2C2C1c1cc3OCOc3cc1O2

InChI:
InChI=1S/C17H14O6/c1-19-17-15-10-5-13-14(21-7-20-13)6-12(10)22-16(15)9-3-2-8(18)4-11(9)23-17/h2-6,15-18H,7H2,1H3

InChIKey:
BARRXUGKUYTIQH-UHFFFAOYSA-N

DeepSMILES:
COCOcccO)ccc6CC%10cccOCOc5cc9O%12

Functional groups:
c1cOCO1, cO, cOC, cOC(C)OC

---

Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCC2C(C1)OCC1C3CC4OCOC4CC3OC21

Scaffold Graph level:
C1CC2CC3CC4C5CCCCC5CCC4C3CC2C1

---

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: 1.862

---

Chemical structure download