Urabaine; 3,3'-Dimethoxy
AlkaPlorer ID: AK078495
Synonym: 7,7'-Bisdehydro-O-methylisopiline, 3,3'-Dimethoxyurabaine
IUPAC Name: 14,15,16-trimethoxy-8-(14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaen-8-yl)-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene
Structure
SMILES: COC1=C2CCNC3=C2C(=C2C=CC=CC2=C3C2=C3NCCC4=C(OC)C(OC)=C(OC)C(=C43)C3=CC=CC=C23)C(OC)=C1OC
InChI: InChI=1S/C38H36N2O6/c1-41-33-23-15-17-39-31-25(19-11-7-9-13-21(19)29(27(23)31)35(43-3)37(33)45-5)26-20-12-8-10-14-22(20)30-28-24(16-18-40-32(26)28)34(42-2)38(46-6)36(30)44-4/h7-14,39-40H,15-18H2,1-6H3
InChIKey: TUYPXXVZCTZZGP-UHFFFAOYSA-N
Reference
Two 7,7′-bisdehydroaporphine alkaloids from Polyalthia bullata
PubChem CID: 11181073
CAS: 182295-40-5
LOTUS: LTS0138974
SuperNatural Ⅲ: SN0360724
COCONUT: CNP0379576
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polyalthia bullata | Polyalthia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 616.7140000000003
TPSA？: 79.44000000000001
MolLogP？: 7.954000000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|