Summary

IMPPAT Phytochemical identifier: IMPHY000020

Phytochemical name: Vitedoamine A

Synonymous chemical names:
vitedoamine a

External chemical identifiers:
CID:11348702, ChEMBL:CHEMBL487008, ZINC:ZINC000014883364

---

Chemical structure information

SMILES:
COc1cc2cc3C(=O)NCc3c(c2cc1O)c1ccc(c(c1)OC)O

InChI:
InChI=1S/C20H17NO5/c1-25-17-6-10(3-4-15(17)22)19-12-8-16(23)18(26-2)7-11(12)5-13-14(19)9-21-20(13)24/h3-8,22-23H,9H2,1-2H3,(H,21,24)

InChIKey:
QVAJYPUWQBUWLN-UHFFFAOYSA-N

DeepSMILES:
COcccccC=O)NCc5cc9cc%13O))))cccccc6)OC)))O

Functional groups:
cC(=O)NC, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NCc2c1cc1ccccc1c2-c1ccccc1

Scaffold Graph/Node level:
OC1NCC2C1CC1CCCCC1C2C1CCCCC1

Scaffold Graph level:
CC1CCC2C1CC1CCCCC1C2C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

ClassyFire Class: Arylnaphthalene lignans

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.055

---

Chemical structure download