1,2,3,9,10-Pentahydroxyaporphine; (S)-form, 1,2,9,10-Tetra-Me ether
AlkaPlorer ID: AK309646
Synonym: 3-Hydroxy-1,2,9,10-tetramethoxyaporphine, Thalbaicalidine, O-Demethylpurpureine, 3-Hydroxyglaucine
IUPAC Name: 1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-ol
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=C(O)C3=C1C(C2)N(C)CC3
InChI: InChI=1S/C21H25NO5/c1-22-7-6-12-17-14(22)8-11-9-15(24-2)16(25-3)10-13(11)18(17)20(26-4)21(27-5)19(12)23/h9-10,14,23H,6-8H2,1-5H3
InChIKey: WHOVKGFICRPUBN-UHFFFAOYSA-N
Reference
Tumor Inhibitors II: Cytotoxic Alkaloids from Annona Purpurea
PubChem CID: 21770003
CAS: 66186-95-6
LOTUS: LTS0206532
COCONUT: CNP0278814.2
Source
Properties Information
Molecule Weight: 371.43300000000016
TPSA？: 60.39000000000001
MolLogP？: 3.178700000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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