Summary

IMPPAT Phytochemical identifier: IMPHY015033

Phytochemical name: Pashanone

Synonymous chemical names:
pashanone

External chemical identifiers:
CID:6254251, ZINC:ZINC000004252560, MolPort-000-165-367

---

Chemical structure information

SMILES:
COc1cc(O)c(c(c1OC)O)C(=O)/C=C/c1ccccc1

InChI:
InChI=1S/C17H16O5/c1-21-14-10-13(19)15(16(20)17(14)22-2)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3/b9-8+

InChIKey:
KVDNSLPRNTZIKF-CMDGGOBGSA-N

DeepSMILES:
COcccO)ccc6OC)))O))C=O)/C=C/cccccc6

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.953

---

Chemical structure download