Urabaine; N,N'-Di-Me
AlkaPlorer ID: AK241603
Synonym: N,N'-Dimethylurabaine
IUPAC Name: 8-(15,16-dimethoxy-10-methyl-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)N(C)CC2
InChI: InChI=1S/C38H36N2O4/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)32-24-12-8-10-14-26(24)34-30-22(16-18-40(2)36(30)32)20-28(42-4)38(34)44-6/h7-14,19-20H,15-18H2,1-6H3
InChIKey: ZKVMWEKXJVMXAE-UHFFFAOYSA-N
Reference
Aporphinoid alkaloids and terpenoids from Piptostigma fugax
PubChem CID: 13992205
LOTUS: LTS0011129
SuperNatural Ⅲ: SN0473140
COCONUT: CNP0225968
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: 584.716
TPSA？: 43.4
MolLogP？: 7.985400000000008
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|