Summary

IMPPAT Phytochemical identifier: IMPHY007984

Phytochemical name: Euchrenone b7

Synonymous chemical names:
euchrenone b7

External chemical identifiers:
CID:14704592, ZINC:ZINC000014618655

---

Chemical structure information

SMILES:
Oc1ccc(cc1)c1coc2c(c1=O)c(O)c(c1c2C=CC(O1)(C)C)CCC(O)(C)C

InChI:
InChI=1S/C25H26O6/c1-24(2,29)11-9-16-20(27)19-21(28)18(14-5-7-15(26)8-6-14)13-30-23(19)17-10-12-25(3,4)31-22(16)17/h5-8,10,12-13,26-27,29H,9,11H2,1-4H3

InChIKey:
BPXHIAACGCIWGL-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccoccc6=O))cO)ccc6C=CCO6)C)C))))))CCCO)C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2c3c(ccc12)OCC=C3

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2C3CCCOC3CCC12

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2C3CCCCC3CCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 2.337

---

Chemical structure download