Muricin H
PubChem CID: 44566985
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | muricin H, (2S)-2-methyl-4-(12-((2S,5R)-5-((1R,6S,7S)-1,6,7-trihydroxytetradecyl)oxolan-2-yl)dodecyl)-2H-furan-5-one, (2S)-2-methyl-4-[12-[(2S,5R)-5-[(1R,6S,7S)-1,6,7-trihydroxytetradecyl]oxolan-2-yl]dodecyl]-2H-furan-5-one, CHEMBL449255, 422508-82-5 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 694.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2S)-2-methyl-4-[12-[(2S,5R)-5-[(1R,6S,7S)-1,6,7-trihydroxytetradecyl]oxolan-2-yl]dodecyl]-2H-furan-5-one |
| Prediction Hob | 0.0 |
| Xlogp | 9.9 |
| Molecular Formula | C35H64O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LZWAOCORLSBLAU-FNSYIFFZSA-N |
| Fcsp3 | 0.9142857142857144 |
| Logs | -4.634 |
| Rotatable Bond Count | 26.0 |
| Logd | 5.056 |
| Compound Name | Muricin H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 580.47 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 580.47 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 580.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.987724200000003 |
| Inchi | InChI=1S/C35H64O6/c1-3-4-5-12-17-22-31(36)32(37)23-18-19-24-33(38)34-26-25-30(41-34)21-16-14-11-9-7-6-8-10-13-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30-,31-,32-,33+,34+/m0/s1 |
| Smiles | CCCCCCC[C@@H]([C@H](CCCC[C@H]([C@H]1CC[C@@H](O1)CCCCCCCCCCCCC2=C[C@@H](OC2=O)C)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all