Summary

IMPPAT Phytochemical identifier: IMPHY004499

Phytochemical name: Moracin F

Synonymous chemical names:
moracin f

External chemical identifiers:
CID:5319889, ChEMBL:CHEMBL3397393, ChEBI:174727, ZINC:ZINC000013340108

---

Chemical structure information

SMILES:
COc1cc2oc(cc2cc1OC)c1cc(O)cc(c1)O

InChI:
InChI=1S/C16H14O5/c1-19-15-6-10-5-13(21-14(10)8-16(15)20-2)9-3-11(17)7-12(18)4-9/h3-8,17-18H,1-2H3

InChIKey:
MQRQKQBOYQLFAI-UHFFFAOYSA-N

DeepSMILES:
COcccoccc5cc9OC))))))cccO)ccc6)O

Functional groups:
cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2cc3ccccc3o2)cc1

Scaffold Graph/Node level:
C1CCC(C2CC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCCC3C2)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: 0.859

---

Chemical structure download