Compound: conessine
SMILES: N1([C@H]([C@H]2CC[C@@H]3[C@]2(C1)CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)C)C
InChIKey: GPLGAQQQNWMVMM-MYAJQUOBSA-N
Synonyms: conessine, 546-06-5, Neriine, Roquessine, Conessinum, Wrightine, Conesina, Conessin, EZ38J9BBDF, N,N-dimethylcon-5-enin-3beta-amine, Konessin, DTXSID6046000, NSC-119994, (3-beta)-N,N-Dimethylcon-5-enin-3-amine, DTXCID4026000, CHEBI:27965, (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine, (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo(10.8.0.02,9.05,9.013,18)icos-18-en-16-amine, (+)-Conessine, RefChem:578638, N,N,6,7,13-pentamethyl-7-azapentacyclo(10.8.0.02,9.05,9.013,18)icos-18-en-16-amine, 3 beta-(dimethylamino)con-5-enine, conessine dihydrobromide, (3beta)-, (3-beta)-N,N-dimethyl-on-5-enin-3-amine dihydrobromide, 208-897-2, Conessine [INN], MFCD00016752, ST066907, NSC 119994, Con-5-enine, 3.beta.-(dimethylamino)-, ((2S,5S,12S,16S,1R,9R,13R)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.0<2,9>.0<5, 9>.0<13,18>]icos-18-en-16-yl)dimethylamine, (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-18-en-16-amine, Conesina [INN-Spanish], Conessinum [INN-Latin], UNII-EZ38J9BBDF, Conkurchine, N,18-dihydrotrimethyl-, 3beta-(Dimethylamino)con-5-ene, NCGC00095844-01, C24H40N2, CAS-546-06-5, Prestwick_692, EINECS 208-897-2, BRN 4702160, CONESSINE [MI], Prestwick0_000638, Prestwick1_000638, Prestwick2_000638, Prestwick3_000638, ConessineWrightine; Conessine, BSPBio_000636, BIDD:ER0525, SCHEMBL791146, SPBio_002855, BPBio1_000700, CHEMBL191703, GTPL8981, orb1306560, Conessine, >=97% (HPLC), BDBM27193, 3beta-(Dimethylamino)con-5-enine, GLXC-26648, HMS1569P18, HMS2096P18, Tox21_111531, MSK164242, SBB012585, AKOS024283367, Con-5-enine, 3beta-(dimethylamino)-, Tox21_111531_1, EBC-615806, FC57645, (3?)-N,N-Dimethylcon-5-enin-3-amine, NCGC00092388-01, NCGC00092388-03, NCGC00092388-05, NCGC00092388-15, MS-25590, HY-107566, NS00033145, C06545, F82154, Con-5-enin-3-amine, N,N-dimethyl-, (3beta)-, A1-00780, Q5159518
Theoretical properties:
molecular_formula: C24H40N2
molecular_weight: 356.6 g/mol
exact_mass: 356.319149284 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 26
topological_polar_surface_area: 6.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Conessine is a steroid alkaloid that is con-5-enine substituted by a N,N-dimethylamino group at position 3. It has been isolated from the plant species of the family Apocynaceae. It has a role as an antibacterial agent, an antimalarial, a H3-receptor antagonist and a plant metabolite. It is a steroid alkaloid and a tertiary amino compound. It is functionally related to a conanine.
chebi: A steroid alkaloid that is con-5-enine substituted by a <em>N</em>,<em>N</em>-dimethylamino group at position 3. It has been isolated from the plant species of the family <em>Apocynaceae</em>.
chembl: CONESSINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Conessine is a steroidal alkaloid found in a number of plant species from the family Apocynaceae, including Holarrhena floribunda, Holarrhena antidysenterica and Funtumia elastica. It acts as a histamine antagonist, selective for the H3 subtype (with an affinity of pKi = 8.27; Ki = ~5 nM). It was also found to have long CNS clearance times, high blood–brain barrier penetration and high affinity for the adrenergic receptors.