Summary

IMPPAT Phytochemical identifier: IMPHY005877

Phytochemical name: Morusinol

Synonymous chemical names:
morusinol, oxydihydromorusin

External chemical identifiers:
CID:5481968, ChEMBL:CHEMBL1719948, ChEBI:175531, ZINC:ZINC000013125764, FDASRS:IA6I4SG21V, SureChEMBL:SCHEMBL5918073, MolPort-039-052-395

---

Chemical structure information

SMILES:
Oc1ccc(c(c1)O)c1oc2c3C=CC(Oc3cc(c2c(=O)c1CCC(O)(C)C)O)(C)C

InChI:
InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3

InChIKey:
AFOKZNPZDXHDHD-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))coccC=CCOc6ccc%10c=O)c%14CCCO)C)C)))))))O)))))C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCC=C3

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.425

---

Chemical structure download