Melinervin
PubChem CID: 44260069
Connections displayed (default: 10).
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| Compound Synonyms | Melinervin, LMPK12113347, 2-(1,3-benzodioxol-5-yl)-3,5,7-trihydroxy-6,8-dimethoxychromen-4-one, 52329-54-1 |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 620.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,3-benzodioxol-5-yl)-3,5,7-trihydroxy-6,8-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H14O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UTYCJCKEEFUSMZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.992 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.05 |
| Compound Name | Melinervin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.064 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.692684718518519 |
| Inchi | InChI=1S/C18H14O9/c1-23-17-12(20)10-11(19)13(21)15(27-16(10)18(24-2)14(17)22)7-3-4-8-9(5-7)26-6-25-8/h3-5,20-22H,6H2,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)O)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agapanthus Africanus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Kleinhovia Hospita (Plant) Rel Props:Source_db:cmaup_ingredients