Summary

IMPPAT Phytochemical identifier: IMPHY007910

Phytochemical name: Didymocarpin A

Synonymous chemical names:
didymocarpin a, didymocarpin-a

External chemical identifiers:
CID:21679830

---

Chemical structure information

SMILES:
COc1c(O)c2OC(CC(=O)c2c(c1OC)O)c1ccccc1

InChI:
InChI=1S/C17H16O6/c1-21-16-13(19)12-10(18)8-11(9-6-4-3-5-7-9)23-15(12)14(20)17(16)22-2/h3-7,11,19-20H,8H2,1-2H3

InChIKey:
KZDDYSMOBDHKFT-UHFFFAOYSA-N

DeepSMILES:
COccO)cOCCC=O)c6cc%10OC)))O)))))cccccc6

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

---

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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.479

---

Chemical structure download