Summary

IMPPAT Phytochemical identifier: IMPHY007312

Phytochemical name: Mulberrofuran G

Synonymous chemical names:
albanol a, albanol-a

External chemical identifiers:
CID:9959532, ChEMBL:CHEMBL445265, ChEBI:2544, ZINC:ZINC000044281738, SureChEMBL:SCHEMBL14007024, MolPort-039-338-548

---

Chemical structure information

SMILES:
CC1=C[C@H]2c3c(O)cc(cc3O[C@@]3([C@H]2[C@@H](C1)c1ccc(cc1O3)O)c1ccc(cc1O)O)c1oc2c(c1)ccc(c2)O

InChI:
InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33-,34+/m0/s1

InChIKey:
MJJWBJFYYRAYKU-OPKNDJPNSA-N

DeepSMILES:
CC=C[C@H]ccO)cccc6O[C@@][C@H]%10[C@@H]C%14)cccccc6O%10)))O)))))))cccccc6O)))O)))))))))coccc5)cccc6)O

Functional groups:
CC(C)=CC, cO, cO[C@@](c)(C)Oc, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2c3ccc(-c4cc5ccccc5o4)cc3OC3(c4ccccc4)Oc4ccccc4C(C1)C23

Scaffold Graph/Node level:
C1CCC(C23OC4CCCCC4C4CCCC(C5CCC(C6CC7CCCCC7O6)CC5O2)C43)CC1

Scaffold Graph level:
C1CCC(C23CC4CCCCC4C4CCCC(C5CCC(C6CC7CCCCC7C6)CC5C2)C43)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: 2-arylbenzofurans

NP-Likeness score: 1.82

---

Chemical structure download