(2S,13bS)-2,11-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-12-carboxamide
PubChem CID: 154496540
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| Topological Polar Surface Area | 64.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 549.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,13bS)-2,11-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-12-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C19H24N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PANDVJNMJNDSCF-LIRRHRJNSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -2.61 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.993 |
| Compound Name | (2S,13bS)-2,11-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-12-carboxamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 328.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.179 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0979544 |
| Inchi | InChI=1S/C19H24N2O3/c1-23-14-4-3-13-6-8-21-7-5-12-9-17(24-2)15(18(20)22)10-16(12)19(13,21)11-14/h3,9-10,14H,4-8,11H2,1-2H3,(H2,20,22)/t14-,19-/m0/s1 |
| Smiles | CO[C@H]1CC=C2CCN3[C@]2(C1)C4=CC(=C(C=C4CC3)OC)C(=O)N |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Odorata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cercidiphyllum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Solanum Lasiocarpum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Sophora Tetraptera (Plant) Rel Props:Source_db:cmaup_ingredients