Summary

IMPPAT Phytochemical identifier: IMPHY000946

Phytochemical name: Moracin A

Synonymous chemical names:
moracin a

External chemical identifiers:
CID:441839, ChEMBL:CHEMBL3397309, ChEBI:6994

---

Chemical structure information

SMILES:
COc1cc(OC)cc2c1cc(o2)c1cc(O)cc(c1)O

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

InChIKey:
DCCBMAKQGXCAQH-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6cco5)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: 0.976

---

Chemical structure download