Urabaine
AlkaPlorer ID: AK025624
Synonym: 5,5',6,6'-Tetrahydro-1,1',2,2'-tetramethoxy-7,7'-bi-4H-dibenzo[de,g]quinoline
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-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=C5NCCC6=CC(OC)=C(OC)C(=C65)C5=CC=CC=C45)C4=CC=CC=C4C3=C1OC)NCC2
InChI: InChI=1S/C36H32N2O4/c1-39-25-17-19-13-15-37-33-27(19)31(35(25)41-3)23-11-7-5-9-21(23)29(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/h5-12,17-18,37-38H,13-16H2,1-4H3
InChIKey: VAJJHVOLCGLYEI-UHFFFAOYSA-N
Reference
Two 7,7′-bisdehydroaporphine alkaloids from Polyalthia bullata
PubChem CID: 184021
CAS: 108906-93-0
LOTUS: LTS0204871
SuperNatural Ⅲ: SN0384994
NPASS: NPC134319
COCONUT: CNP0339065
Source
Properties Information
Molecule Weight: 556.6620000000001
TPSA？: 60.98
MolLogP？: 7.936800000000007
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 8
Activities Information
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