Summary

IMPPAT Phytochemical identifier: IMPHY004377

Phytochemical name: Moracin H

Synonymous chemical names:
moracin h

External chemical identifiers:
CID:5319891, ChEMBL:CHEMBL3397395, ZINC:ZINC000014610063

---

Chemical structure information

SMILES:
COc1cc2OCC(=CCc2c2c1cc(o2)c1cc(O)cc(c1)O)C

InChI:
InChI=1S/C20H18O5/c1-11-3-4-15-19(24-10-11)9-18(23-2)16-8-17(25-20(15)16)12-5-13(21)7-14(22)6-12/h3,5-9,21-22H,4,10H2,1-2H3

InChIKey:
QRLJHLHVDMQXPO-UHFFFAOYSA-N

DeepSMILES:
COcccOCC=CCc7cc%11cco5)cccO)ccc6)O)))))))))))))C

Functional groups:
CC=C(C)C, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCc2c(ccc3cc(-c4ccccc4)oc23)OC1

Scaffold Graph/Node level:
C1CCC(C2CC3CCC4OCCCCC4C3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCC4CCCCCC4C3C2)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: 1.568

---

Chemical structure download