Monachosorin A
PubChem CID: 5319870
Connections displayed (default: 10).
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| Compound Synonyms | Monachosorin A, 100217-75-2, MonachosorinA |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 697.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z)-6-(2-hydroxyethyl)-2-[[6-(2-hydroxyethyl)-7-methyl-1-oxo-2,3-dihydroinden-5-yl]methylidene]-5,7-dimethyl-3H-inden-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.8 |
| Molecular Formula | C26H28O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LOBSTWNCPNNOKH-NDENLUEZSA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | -6.357 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.109 |
| Compound Name | Monachosorin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 404.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.695337200000001 |
| Inchi | InChI=1S/C26H28O4/c1-14-10-19-13-20(26(30)25(19)15(2)21(14)6-8-27)12-18-11-17-4-5-23(29)24(17)16(3)22(18)7-9-28/h10-12,27-28H,4-9,13H2,1-3H3/b20-12- |
| Smiles | CC1=CC2=C(C(=C1CCO)C)C(=O)/C(=C\C3=C(C(=C4C(=C3)CCC4=O)C)CCO)/C2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Monachosorum Flagellare (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Monachosorum Henryi (Plant) Rel Props:Source_db:cmaup_ingredients