Salvianan A
PubChem CID: 134816159
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| Compound Synonyms | Salvianan A, 2162956-63-8, CHEMBL4166297, HY-N10801, DA-67388, CS-0636399, (5R)-5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaene |
|---|---|
| Topological Polar Surface Area | 35.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 469.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaene |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C20H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AIRHUANQVRWHJI-NSHDSACASA-N |
| Fcsp3 | 0.25 |
| Logs | -4.738 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.536 |
| Compound Name | Salvianan A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 303.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 303.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.64459472173913 |
| Inchi | InChI=1S/C20H17NO2/c1-10-5-4-6-14-13(10)7-8-15-17(14)18-20(23-12(3)21-18)16-11(2)9-22-19(15)16/h4-8,11H,9H2,1-3H3/t11-/m0/s1 |
| Smiles | C[C@H]1COC2=C1C3=C(C4=C2C=CC5=C(C=CC=C54)C)N=C(O3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients