(6aR,12bR)-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one
PubChem CID: 44423028
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| Compound Synonyms | CHEMBL608813 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 383.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,12bR)-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one |
| Prediction Hob | 1.0 |
| Target Id | NPT271 |
| Xlogp | 2.6 |
| Molecular Formula | C16H19NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DXTYYNIKCKARPP-HNVBAWDGSA-N |
| Fcsp3 | 0.5625 |
| Logs | -3.088 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.194 |
| Compound Name | (6aR,12bR)-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 257.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.142 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 257.329 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2819488105263153 |
| Inchi | InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15?/m1/s1 |
| Smiles | CC1=C2C(=CC=C1)O[C@@H]3CCN4CCC[C@@H]4C3C2=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elaeocarpus Fuscoides (Plant) Rel Props:Source_db:cmaup_ingredients