Molecule

Frangufoline; 3'-Epimer

AlkaPlorer ID: AK298645

Synonym: Sanjoinine Ah1

IUPAC Name: 2-(dimethylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide

Structure

SMILES: CC(C)CC1N=C(O)C(N=C(O)C(CC2=CC=CC=C2)N(C)C)C(C(C)C)OC2=CC=C(C=CN=C1O)C=C2

InChI: InChI=1S/C31H42N4O4/c1-20(2)18-25-29(36)32-17-16-22-12-14-24(15-13-22)39-28(21(3)4)27(31(38)33-25)34-30(37)26(35(5)6)19-23-10-8-7-9-11-23/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)

InChIKey: TVUQUDJOLFMOKT-UHFFFAOYSA-N

Reference

Constituents of the roots of Melochia chamaedrys

PubChem CID: 313189

LOTUS: LTS0042486

COCONUT: CNP0212752.6

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Discaria	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euonymus europaeus	Euonymus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Melochia pyramidata	Melochia	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ceanothus sanguineus	Ceanothus	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Frangula	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Lotus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Mauritiana	Halotthiaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 534.7010000000002

TPSA？: 110.24

MolLogP？: 5.900000000000006

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi