Salvianan D
PubChem CID: 134816161
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| Compound Synonyms | Salvianan D, CHEMBL4165216 |
|---|---|
| Topological Polar Surface Area | 35.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-5,17,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C20H21NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJTJMPLOHNMNKP-NSHDSACASA-N |
| Fcsp3 | 0.45 |
| Logs | -6.325 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.28 |
| Compound Name | Salvianan D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 307.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.6920974695652164 |
| Inchi | InChI=1S/C20H21NO2/c1-11-9-22-18-13-6-7-14-12(5-4-8-20(14,2)3)16(13)17-19(15(11)18)23-10-21-17/h6-7,10-11H,4-5,8-9H2,1-3H3/t11-/m0/s1 |
| Smiles | C[C@H]1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=CO3 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients