Summary

IMPPAT Phytochemical identifier: IMPHY009038

Phytochemical name: Plicadin

Synonymous chemical names:
plicadin

External chemical identifiers:
CID:10980538, ZINC:ZINC000014660140

---

Chemical structure information

SMILES:
Oc1ccc2c(c1)oc1c2c(=O)oc2c1ccc1c2C=CC(O1)(C)C

InChI:
InChI=1S/C20H14O5/c1-20(2)8-7-12-14(25-20)6-5-13-17(12)24-19(22)16-11-4-3-10(21)9-15(11)23-18(13)16/h3-9,21H,1-2H3

InChIKey:
SPBFWPDNBGDCCJ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occ5c=O)occ6cccc6C=CCO6)C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2c3c(ccc2c2oc4ccccc4c12)OCC=C3

Scaffold Graph/Node level:
OC1OC2C3CCCOC3CCC2C2OC3CCCCC3C12

Scaffold Graph level:
CC1CC2C3CCCCC3CCC2C2CC3CCCCC3C12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Coumestans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Coumestan, Isoflavanones

NP-Likeness score: 2.161

---

Chemical structure download