Summary

IMPPAT Phytochemical identifier: IMPHY007985

Phytochemical name: Euchrenone b8

Synonymous chemical names:
euchrenone b8

External chemical identifiers:
CID:14704591

---

Chemical structure information

SMILES:
CC(=C)C(Cc1c2OC(C)(C)C=Cc2c(c2c1occ(c2=O)c1ccc(cc1)O)O)O

InChI:
InChI=1S/C25H24O6/c1-13(2)19(27)11-17-23-16(9-10-25(3,4)31-23)21(28)20-22(29)18(12-30-24(17)20)14-5-7-15(26)8-6-14/h5-10,12,19,26-28H,1,11H2,2-4H3

InChIKey:
KWRHIVVLDZCPHZ-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCccOCC)C)C=Cc6ccc%10occc6=O))cccccc6))O))))))))))O))))))))))O

Functional groups:
C=C(C)C, 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: 2.651

---

Chemical structure download