Mesuagenin C
PubChem CID: 52943130
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Mesuagenin C, CHEMBL1277589, 6-((2E)-3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-8-(2-methylpropanoyl)-4-phenylchromen-2-one, 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylpropanoyl)-4-phenylchromen-2-one, BDBM50330756 |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 825.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42275 |
| Iupac Name | 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylpropanoyl)-4-phenylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 7.4 |
| Molecular Formula | C29H32O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UUCAKUXYHNRXRO-XMHGGMMESA-N |
| Fcsp3 | 0.3103448275862069 |
| Logs | -4.058 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.271 |
| Compound Name | Mesuagenin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 460.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 460.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 460.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.761969294117647 |
| Inchi | InChI=1S/C29H32O5/c1-17(2)10-9-11-19(5)14-15-21-27(32)24-22(20-12-7-6-8-13-20)16-23(30)34-29(24)25(28(21)33)26(31)18(3)4/h6-8,10,12-14,16,18,32-33H,9,11,15H2,1-5H3/b19-14+ |
| Smiles | CC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)C/C=C(\C)/CCC=C(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mesua Elegans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all