3,14-Dihydrodecussine
PubChem CID: 44559338
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| Compound Synonyms | 3,14-dihydrodecussine, CHEMBL510403 |
|---|---|
| Topological Polar Surface Area | 21.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),14(19),15,17-heptaene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H21N3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YFWSIGRPVGRELZ-BSOCMFCZSA-N |
| Fcsp3 | 0.35 |
| Logs | -1.462 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.064 |
| Compound Name | 3,14-Dihydrodecussine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 303.174 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.174 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 303.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.030744495652174 |
| Inchi | InChI=1S/C20H21N3/c1-13-17-12-21-9-7-14(17)11-19-20-16(8-10-22(19)2)15-5-3-4-6-18(15)23(13)20/h3-7,9,12-13,19H,8,10-11H2,1-2H3/t13-,19?/m1/s1 |
| Smiles | C[C@@H]1C2=C(CC3C4=C(CCN3C)C5=CC=CC=C5N14)C=CN=C2 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Strychnos Decussata (Plant) Rel Props:Source_db:cmaup_ingredients