5,10-Dihydroxy-8-methoxy-2-propylbenzo[h]chromen-4-one
PubChem CID: 13917260
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,10-dihydroxy-8-methoxy-2-propylbenzo[h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PVCPEINKJJCRCO-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.252 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.25 |
| Compound Name | 5,10-Dihydroxy-8-methoxy-2-propylbenzo[h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8522310909090907 |
| Inchi | InChI=1S/C17H16O5/c1-3-4-10-7-14(20)16-12(18)6-9-5-11(21-2)8-13(19)15(9)17(16)22-10/h5-8,18-19H,3-4H2,1-2H3 |
| Smiles | CCCC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3C=C2O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asimina Triloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Blainvillea Acmella (Plant) Rel Props:Source_db:cmaup_ingredients