Graphislactone H
PubChem CID: 11529770
Connections displayed (default: 10).
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| Compound Synonyms | Graphislactone H, CHEBI:205958, 7-hydroxy-3,4,9-trimethoxy-1-methylbenzo[c]chromen-6-one |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3,4,9-trimethoxy-1-methylbenzo[c]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZKPINXURUNKUFT-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.523 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.071 |
| Compound Name | Graphislactone H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.560950582608696 |
| Inchi | InChI=1S/C17H16O6/c1-8-5-12(21-3)15(22-4)16-13(8)10-6-9(20-2)7-11(18)14(10)17(19)23-16/h5-7,18H,1-4H3 |
| Smiles | CC1=CC(=C(C2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Maytenus Mossambicensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients