Compound: Fangchinoline
SMILES: O1c2c(O)c(OC)cc3c2[C@@H](N(C)CC3)Cc4cc(Oc5ccc(C[C@H]6c7cc1c(OC)cc7CCN6C)cc5)c(OC)cc4
InChIKey: IIQSJHUEZBTSAT-VMPREFPWSA-N
Synonyms: Fangchinoline, (+)-Fangchinoline, 436-77-1, (+)-Limacine, 7-O-Demethyltetrandrine, NSC-77036, (1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol, 953592C3ZB, J11.388C, CHEBI:132893, DTXSID40893498, 16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-22-ol, 3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-4,17-dimethyl-, (4aS,16aS)-, (1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo(22.6.2.23,6.18,12.114,18.027,31.022,33)hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol, 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol, 3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-4,17-dimethyl-, (4aS,16aS)-, 7-O-demethyl-tetrandrine, RefChem:139929, DTXCID501323517, berbaman-7-ol, 6,6',12-trimethoxy-2,2'-dimethyl-, (1beta)-, Berbaman-7-ol, 6,6',12-trimethoxy-2,2'-dimethyl-, Hanfangchin B, NSC77036, MLS000728580, CHEMBL504256, No CAS, SMR000445631, Menisidine, NSC 77036, UNII-953592C3ZB, (1-beta)-2,2'-Dimethyl-6,6',12-trimethoxyberbaman-7-ol, 6,6',12-trimethoxy-2,2'-dimethylberbaman-7-ol, Fangchinoline (Standard), Fangchinoline (Hanfangchin B), HY-N1372AR, SCHEMBL1460487, SCHEMBL29531519, SCHEMBL30052049, SCHEMBL30662388, HY-N1372A, Fangchinoline, >=98% (HPLC), HMS2226P12, HMS3885G15, Berbaman-7-ol, 2,2'-dimethyl-6,6',12-trimethoxy-, (1-beta)-, BDBM50241651, MSK159554, s3611, AKOS015915280, CCG-270220, EBC-459137, FF65604, NCGC00247556-01, NCGC00247556-02, NCI60_041695, CS-0008917, F1173, SR-01000777458, SR-01000777458-2, Q15410976, 6,6',12-Trimethoxy-2,2'-dimethyl-1beta-berbaman-7-ol, (1beta)-2,2'-dimethyl-6,6',12-trimethoxyberbaman-7-ol, (1beta)-6,6',12-trimethoxy-2,2'-dimethylberbaman-7-ol, (1S)-6,6',12-TRIMETHOXY-2,2'-DIMETHYLBERBAMAN-7-OL, BERBAMAN-7-OL, 6,6',12-TRIMETHOXY-2,2'-DIMETHYL-, (1.BETA.)-, (1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24(32),25,27(31),35-dodecaen-21-ol
Theoretical properties:
molecular_formula: C37H40N2O6
molecular_weight: 608.7 g/mol
exact_mass: 608.28863700 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 3
heavy_atom_count: 45
topological_polar_surface_area: 72.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: depends upon the specific compound
Descriptions:
pubchem: Fangchinoline is a bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and by a hydroxy group at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity. It has a role as an antioxidant, an antineoplastic agent, a neuroprotective agent, an anti-HIV-1 agent, an anti-inflammatory agent and a plant metabolite. It is a bisbenzylisoquinoline alkaloid, an aromatic ether and a macrocycle.
chebi: A bisbenzylisoquinoline alkaloid that is (1β)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and by a hydroxy group at position 7. Isolated from <em>Stephania tetrandra</em>, it has been found to possess neuroprotective and anti-tumour activity.
chembl: FANGCHINOLINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Fangchinoline is a chemical compound isolated from Stephania tetrandra.  It has in vitro antiproliferative activity against a breast cancer cell line.