Summary

IMPPAT Phytochemical identifier: IMPHY008448

Phytochemical name: Isoiriskashmirianin

Synonymous chemical names:
isoiriskashmirianin

External chemical identifiers:
CID:14539328, ZINC:ZINC000014646149

---

Chemical structure information

SMILES:
COc1cc(O)cc(c1)c1coc2c(c1=O)c(OC)c1c(c2)OCO1

InChI:
InChI=1S/C18H14O7/c1-21-11-4-9(3-10(19)5-11)12-7-23-13-6-14-17(25-8-24-14)18(22-2)15(13)16(12)20/h3-7,19H,8H2,1-2H3

InChIKey:
DLVQIIYSDXYGEG-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)ccoccc6=O))cOC))ccc6)OCO5

Functional groups:
c1cOCO1, c=O, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2cc3c(cc12)OCO3

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CC3OCOC3CC21

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2CC3CCCC3CC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.479

---

Chemical structure download