Urabaine; N-Me
AlkaPlorer ID: AK175016
Synonym: N-Methylurabaine
IUPAC Name: 8-(15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene
Structure
SMILES: COC1=CC2=C3C(=C(C4=C5C6=C(C=C(OC)C(OC)=C6C6=CC=CC=C46)CCN5C)C4=CC=CC=C4C3=C1OC)NCC2
InChI: InChI=1S/C37H34N2O4/c1-39-17-15-21-19-27(41-3)37(43-5)33-25-13-9-7-11-23(25)31(35(39)29(21)33)30-22-10-6-8-12-24(22)32-28-20(14-16-38-34(28)30)18-26(40-2)36(32)42-4/h6-13,18-19,38H,14-17H2,1-5H3
InChIKey: OZRPTHFYXIEDGN-UHFFFAOYSA-N
Reference
Trivalvone, une Nouvelle Bis-aporphine des Ecorces de Trivalvaria macrophylla
PubChem CID: 13992204
CAS: 108906-94-1
LOTUS: LTS0150708
COCONUT: CNP0260554
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Oxandra | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Polyalthia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Polyalthia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 570.6890000000001
TPSA？: 52.19
MolLogP？: 7.961100000000008
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|