Compound: Boldine
SMILES: O(c1c2-c3c(cc(O)c(c3)OC)C[C@H]4c2c(CCN4C)cc1O)C
InChIKey: LZJRNLRASBVRRX-ZDUSSCGKSA-N
Synonyms: Boldine, 476-70-0, (S)-Boldine, (+)-Boldine, 1,10-Dimethoxy-2,9-dihydroxyaporphine, DTXSID40883394, 8I91GE2769, 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-, 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-, NSC-65689, RefChem:30175, DTXCID801022928, 207-509-9, Uniboldina, Boldin, Boldine chloroform, NSC 65689, (6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol, MFCD00135040, CHEMBL388342, (S)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol, 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (S)-, (+)-(S)-Boldine, EINECS 207-509-9, 2,9-Dihydroxy-1,10-dimethoxyaporphine, BRN 0094036, ex Peumus boldus, UNII-8I91GE2769, 1,10-Dimethoxy-6a-alpha-aporphine-2,9-diol, Aprophine alkaloid, Boldine CRS, 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (S)-, Prestwick_46, Boldine (Standard), (S)-(+)-Boldine, BOLDINE [MI], Prestwick3_000600, BOLDINE [WHO-DD], 6aalpha-Aporphine-2,9-diol, 1,10-dimethoxy-, Boldine, analytical standard, BSPBio_000480, 5-21-06-00118 (Beilstein Handbook Reference), cid_10154, MLS002153899, SCHEMBL177550, BOLDINE [EP MONOGRAPH], 6a-alpha-APORPHINE-2,9-DIOL, 1,10-DIMETHOXY-, BPBio1_000528, CHEBI:3148, cid_248507, orb1301554, orb3139512, SCHEMBL30184400, HY-N6973R, HMS2096H22, HMS2235B04, HY-N6973, TNP00245, BDBM50202318, MSK159059, s9050, ZB1855, Boldine, analytical reference material, 2,6-dihydroxy-3,5-dimethoxyaporphine, AKOS015912953, CCG-208461, EBC-616755, FB70015, 5,6,6a,7-Tetrahydro-1,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-2,9-diol, NCGC00016454-01, NCGC00016454-02, NCGC00017314-01, NCGC00179547-01, AC-34043, AS-17759, CAS-476-70-0, SMR001233248, CS-0013445, NS00004847, C09365, 1,10-Dimethoxy-6a-.alpha.-aporphine-2,9-diol, 6a.alpha.-Aporphine-2,9-diol, 1,10-dimethoxy-, Q2070105, 1,10-DIMETHOXY-6A.ALPHA.-APORPHINE-2,9-DIOL, BRD-K03440695-001-02-6, Boldine, European Pharmacopoeia (EP) Reference Standard, 1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol, (S)-, (6AS)-5,6,6A,7-TETRAHYDRO-1,10-DIMETHOXY-6-METHYL-4H-DIBENZO(DE,G)QUINOLINE-2,9-DIOL, (9S)-4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2,4,6,13(17),14-hexaene-5,15-diol
Theoretical properties:
molecular_formula: C19H21NO4
molecular_weight: 327.4 g/mol
exact_mass: 327.14705815 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 2
heavy_atom_count: 24
topological_polar_surface_area: 62.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Boldine is an aporphine alkaloid.
chembl: BOLDINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Boldine is an alkaloid of the aporphine class that is characteristic of the boldo tree Peumus boldus Molina. It is the most abundant alkaloid found in boldo bark, although it is not present in the leaves. Boldine is also found in Lindera aggregata.