Summary

IMPPAT Phytochemical identifier: IMPHY005292

Phytochemical name: Kuwanon L

Synonymous chemical names:
kuwanon l

External chemical identifiers:
CID:184877, ChEMBL:CHEMBL377937

---

Chemical structure information

SMILES:
Oc1ccc(c(c1)O)[C@@H]1CC(=C[C@@H]([C@H]1C(=O)c1ccc(cc1O)O)c1c(O)ccc(c1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O)C

InChI:
InChI=1S/C35H30O11/c1-15-8-22(19-4-2-16(36)10-25(19)40)31(34(44)20-5-3-17(37)11-26(20)41)23(9-15)32-24(39)7-6-21(35(32)45)29-14-28(43)33-27(42)12-18(38)13-30(33)46-29/h2-7,9-13,22-23,29,31,36-42,45H,8,14H2,1H3/t22-,23-,29-,31-/m0/s1

InChIKey:
ZEZOBFSLMMTYFF-HQSFFLIMSA-N

DeepSMILES:
Occcccc6)O))[C@@H]CC=C[C@@H][C@H]6C=O)cccccc6O)))O)))))))ccO)cccc6O))[C@@H]CC=O)ccO6)cccc6O)))O)))))))))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2cccc(C3C=CCC(c4ccccc4)C3C(=O)c3ccccc3)c2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCC(C3CCCC(C4CCCCC4)C3C(O)C3CCCCC3)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(C3CCCC(C4CCCCC4)C3C(C)C3CCCCC3)C2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.791

---

Chemical structure download