Summary

IMPPAT Phytochemical identifier: IMPHY000655

Phytochemical name: 8-Formyl-2,5,7-trihydroxy-6-methylflavanone

Synonymous chemical names:
desmal

External chemical identifiers:
CID:10018499, SureChEMBL:SCHEMBL1527450

---

Chemical structure information

SMILES:
O=Cc1c2OC(O)(CC(=O)c2c(c(c1O)C)O)c1ccccc1

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

InChIKey:
PTQOJHUHQGPAFD-UHFFFAOYSA-N

DeepSMILES:
O=CccOCO)CC=O)c6ccc%10O))C))O)))))cccccc6

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Hydroxyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols, Flavanones

NP-Likeness score: 1.828

---

Chemical structure download