Summary

IMPPAT Phytochemical identifier: IMPHY000393

Phytochemical name: Licoisoflavone A 7-O-glucoside

Synonymous chemical names:
7-o-beta-d-glucopyranoside-licoisoflavone a

External chemical identifiers:
CID:101049552

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2O)CC=C(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C26H28O11/c1-11(2)3-4-13-15(28)6-5-14(22(13)31)18-9-17(30)21-16(29)7-12(8-19(21)36-18)35-26-25(34)24(33)23(32)20(10-27)37-26/h3,5-9,20,23-29,31-34H,4,10H2,1-2H3/t20-,23-,24+,25-,26-/m1/s1

InChIKey:
RBHVNJRQJYAUPH-DDLBMNSQSA-N

DeepSMILES:
OC[C@H]O[C@@H]OcccO)ccc6)occc6=O)))cccccc6O))CC=CC)C)))))O)))))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CC=C(C)C, CO, c=O, cO, cO[C@@H](C)OC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.256

---

Chemical structure download