Salvianan B
PubChem CID: 134816175
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| Compound Synonyms | Salvianan B, CHEMBL4173552 |
|---|---|
| Topological Polar Surface Area | 35.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-5,17-dimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaene |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C19H15NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HYGADCBNYXSYKE-NSHDSACASA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -7.102 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.02 |
| Compound Name | Salvianan B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 289.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 289.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.330488981818181 |
| Inchi | InChI=1S/C19H15NO2/c1-10-4-3-5-13-12(10)6-7-14-16(13)17-19(22-9-20-17)15-11(2)8-21-18(14)15/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1 |
| Smiles | C[C@H]1COC2=C1C3=C(C4=C2C=CC5=C(C=CC=C54)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