Summary

IMPPAT Phytochemical identifier: IMPHY008025

Phytochemical name: Euchrenone b6

Synonymous chemical names:
euchrenone b6

External chemical identifiers:
CID:14704590, ZINC:ZINC000014692086

---

Chemical structure information

SMILES:
Oc1ccc(cc1)c1coc2c(c1=O)c(O)c1c(c2CCC(O)(C)C)OC(C=C1)(C)C

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

InChIKey:
JIXABEPUKFUVOD-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccoccc6=O))cO)ccc6CCCO)C)C)))))OCC=C6))C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CC3OCCCC3CC21

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2CC3CCCCC3CC21

---

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: 2.384

---

Chemical structure download