Summary

IMPPAT Phytochemical identifier: IMPHY005113

Phytochemical name: Broussoflavonol A

Synonymous chemical names:
broussoflavonol a

External chemical identifiers:
CID:21676157, ZINC:ZINC000013379919

---

Chemical structure information

SMILES:
COc1c(oc2c(c1=O)c(O)c1c(c2CC=C(C)C)OC(C=C1)(C)C)c1ccc(c(c1)O)O

InChI:
InChI=1S/C26H26O7/c1-13(2)6-8-16-23-15(10-11-26(3,4)33-23)20(29)19-21(30)25(31-5)22(32-24(16)19)14-7-9-17(27)18(28)12-14/h6-7,9-12,27-29H,8H2,1-5H3

InChIKey:
TZNGSVFGJAHTSV-UHFFFAOYSA-N

DeepSMILES:
COccoccc6=O))cO)ccc6CC=CC)C)))))OCC=C6))C)C)))))))))cccccc6)O))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC3OCCCC3CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC3CCCCC3CC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 2.64

---

Chemical structure download