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 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Japonicum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cercidiphyllum Japonicum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Chrysosplenium Japonicum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cinnamomum Japonicum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cirsium Japonicum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Clerodendrum Japonicum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Conocephalum Japonicum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Eupatorium Japonicum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Farfugium Japonicum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Geum Japonicum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Hypecoum Japonicum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Ligustrum Japonicum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Lycopodium Casuarinoides (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Lycopodium Cernuum (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Lycopodium Chinense (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Lycopodium Clavatum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Lycopodium Contiguum (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Lycopodium Obscurum (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Lycopodium Paniculatum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Lycopodium Phlegmaria (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Lycopodium Selago (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Lygodium Japonicum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Nuphar Japonicum (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Onychium Japonicum (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Peucedanum Japonicum (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Phellodendron Japonicum (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Phtheirospermum Japonicum (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Rhododendron Japonicum (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Spinulum Annotinum (Plant) Rel Props:Source_db:npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Styphnolobium Japonicum (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Tripterospermum Japonicum (Plant) Rel Props:Reference: