Petalostetin
PubChem CID: 44257266
Connections displayed (default: 10).
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| Compound Synonyms | Petalostetin, C19H16O7, LMPK12050152, 3-(1,3-benzodioxol-5-yl)-6,7,8-trimethoxychromen-4-one, 71339-42-9 |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1,3-benzodioxol-5-yl)-6,7,8-trimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XTQARNACNLDAEQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.624 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.869 |
| Compound Name | Petalostetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 356.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5762306153846164 |
| Inchi | InChI=1S/C19H16O7/c1-21-15-7-11-16(20)12(8-24-17(11)19(23-3)18(15)22-2)10-4-5-13-14(6-10)26-9-25-13/h4-8H,9H2,1-3H3 |
| Smiles | COC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peperomia Duclouxii (Plant) Rel Props:Source_db:cmaup_ingredients