Summary

IMPPAT Phytochemical identifier: IMPHY002697

Phytochemical name: Puddumin-A

Synonymous chemical names:
puddumin a, puddumin a[7-o-β-d-glucopyranosyl-5-o-methyl naringenin], puddumin-a

External chemical identifiers:
CID:184173

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)OC)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C22H24O10/c1-29-15-6-12(30-22-21(28)20(27)19(26)17(9-23)32-22)7-16-18(15)13(25)8-14(31-16)10-2-4-11(24)5-3-10/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1

InChIKey:
YKLXLXHFKNDXOH-YMTXFHFDSA-N

DeepSMILES:
OC[C@H]O[C@@H]OcccO[C@@H]CC=O)c6cc%10)OC))))))cccccc6))O)))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, cC(C)=O, cO, cOC, cO[C@@H](C)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2cc(OC3CCCCO3)ccc21

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: Flavanones

NP-Likeness score: 2.037

---

Chemical structure download