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Lycopodine

PubChem CID: 5462445

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Compound Synonyms Lycopodine, 466-61-5, (15R)-15-Methyllycopodan-5-one, DL-Lycopodine, (+/-)-Lycopodine, Lycopodine, (+/-)-, NTV9A2GW9H, UNII-2P5MU968XW, 2P5MU968XW, UNII-NTV9A2GW9H, Lycopodan-5-one, 15-methyl-, (15R)-, CHEBI:6597, (15R)-15-Methyllycopodan-5-one, (+/-)-, Lycopodan-5-one, 15-methyl-, (15R)-(+/-)-, (1R,2R,10S,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one, 1,9-Ethanobenzo(I)quinolizin-14-one, dodecahydro-11-methyl-, (1R,8aS,9R,11S,12aS)-rel-, 18688-24-9, 1,9-ETHANOBENZO(I)QUINOLIZIN-14-ONE, DODECAHYDRO-11-METHYL-, (1S,8AR,9S,11R,12AR)-, LYCOPODINE [MI], (-)-LYCOPODINE, SCHEMBL613890, (16R)-methyllycopodan-5-one, CHEMBL3805710, BCZFSDNVXODRAJ-JTTNIQEDSA-N, DTXSID201032264, AKOS040740837, DA-55119, HY-114372, CS-0084297, NS00094246, C09883, Q27107261, 1,9-ETHANOBENZO(I)QUINOLIZIN-14-ONE, DODECAHYDRO-11-METHYL-, (1S-(1.ALPHA.,8A.ALPHA.,9.BETA.,11.ALPHA.,12AS*))-, 1,9-ETHANOBENZO(I)QUINOLIZIN-14-ONE, DODECAHYDRO-11-METHYL-, (1S-(1alpha,8Aalpha,9beta,11alpha,12AS*))-
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CC2CCCC34C(CCCC13)CCCC24
Np Classifier Class Quinolizidine alkaloids
Deep Smiles C[C@@H]C[C@H]CC=O)[C@@H][C@@]C8)[C@@H]6CCCN6CCC%10
Heavy Atom Count 18.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level OC1CC2CCCC34C1CCCN3CCCC24
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 379.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name (1R,2R,10S,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
Prediction Hob 0.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.6
Gsk 4 400 Rule True
Molecular Formula C16H25NO
Scaffold Graph Node Bond Level O=C1CC2CCCC34C1CCCN3CCCC24
Prediction Swissadme 0.0
Inchi Key BCZFSDNVXODRAJ-JTTNIQEDSA-N
Silicos It Class Soluble
Fcsp3 0.9375
Rotatable Bond Count 0.0
Synonyms lycopodine
Esol Class Soluble
Functional Groups CC(C)=O, CN(C)C
Compound Name Lycopodine
Prediction Hob Swissadme 0.0
Exact Mass 247.194
Formal Charge 0.0
Monoisotopic Mass 247.194
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 247.38
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.0054683999999994
Inchi InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12+,13-,14-,16-/m1/s1
Smiles C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Lysine alkaloids