Funtuminebase
PubChem CID: 410825
Connections displayed (default: 10).
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| Compound Synonyms | FUNTUMINEBASE, 3-Aminopregnan-20-one, 3-Aminopregnan-20-one #, SCHEMBL4998840, DTXSID90871660 |
|---|---|
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C21H35NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | POWBIOMTXFDIOP-UHFFFAOYSA-N |
| Fcsp3 | 0.9523809523809524 |
| Logs | -4.895 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.078 |
| Compound Name | Funtuminebase |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 317.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 317.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6469054000000005 |
| Inchi | InChI=1S/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3 |
| Smiles | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Funtumia Elastica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Holarrhena Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients