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Lycofawcine

PubChem CID: 5462444

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Compound Synonyms Lycofawcine, Lycopodium Base L, Lycofawcine [MI], Alkaloid L from lycopodium, UNII-8U5DZM1QOK, 8U5DZM1QOK, 1,9-Ethanobenzo(I)quinolizine-8a,10,14(6H)-triol, decahydro-11-methyl-, 14-acetate, (1S,8aS,9R,10R,11S,12aS,14R)-, 3175-90-4, Lucofawcine, [(1S,2S,10S,11R,13R,14R,15S)-2,14-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate, Base L, from Lycopodium, DTXSID70420150, Lycopodane-5,8,12-triol, 15-methyl-, 5-acetate, (5.beta.,8R,15S)-, ((1S,2S,10S,11R,13R,14R,15S)-2,14-dihydroxy-15-methyl-6-azatetracyclo(8.6.0.01,6.02,13)hexadecan-11-yl) acetate, 1,9-Ethanobenzo[i]quinolizine-8a,10,14(6H)-triol, decahydro-11-methyl-, 14-acetate, (1S,8aS,9R,10R,11S,12aS,14R)-, C09878, Lycopodane-5,8,12-triol, 5-acetate, (5.beta.,8R,15S)-, Lycopodane-5,8,13-triol, 5-acetate, (5.beta.,8R,16S)-, CHEBI:6592, DTXCID00370997, Q27107257, Lycopodane-5,8,12-triol, 5-acetate, (5beta,8R,15S)-, Lycopodane-5,8,13-triol, 5-acetate, (5beta,8R,16S)-, Lycopodane-5,8,12-triol, 15-methyl-, 5-acetate, (5beta,8R,15S)-
Topological Polar Surface Area 70.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 511.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Iupac Name [(1S,2S,10S,11R,13R,14R,15S)-2,14-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
Prediction Hob 1.0
Xlogp 1.2
Molecular Formula C18H29NO4
Prediction Swissadme 1.0
Inchi Key ZHMNKOPAHVBXQW-HCXPVWKYSA-N
Fcsp3 0.9444444444444444
Logs -2.179
Rotatable Bond Count 2.0
Logd 1.078
Compound Name Lycofawcine
Prediction Hob Swissadme 1.0
Exact Mass 323.21
Formal Charge 0.0
Monoisotopic Mass 323.21
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 323.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -2.4881846
Inchi InChI=1S/C18H29NO4/c1-11-10-17-13-5-3-7-19(17)8-4-6-18(17,22)14(16(11)21)9-15(13)23-12(2)20/h11,13-16,21-22H,3-10H2,1-2H3/t11-,13+,14+,15+,16+,17-,18-/m0/s1
Smiles C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@@]3([C@@H]([C@@H]1O)C[C@H]4OC(=O)C)O
Nring 4.0
Defined Bond Stereocenter Count 0.0