(14aS)-3,7-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol
PubChem CID: 102420434
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| Topological Polar Surface Area | 41.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 528.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (14aS)-3,7-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C23H25NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HIIPBPYYJOYQBL-AWEZNQCLSA-N |
| Fcsp3 | 0.391304347826087 |
| Logs | -5.001 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.683 |
| Compound Name | (14aS)-3,7-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 363.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 363.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 363.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.369086703703704 |
| Inchi | InChI=1S/C23H25NO3/c1-26-15-6-7-16-17-9-14-5-3-4-8-24(14)13-21(17)20-12-23(27-2)22(25)11-19(20)18(16)10-15/h6-7,10-12,14,25H,3-5,8-9,13H2,1-2H3/t14-/m0/s1 |
| Smiles | COC1=CC2=C(C=C1)C3=C(CN4CCCC[C@H]4C3)C5=CC(=C(C=C52)O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boehmeria Siamensis (Plant) Rel Props:Source_db:cmaup_ingredients