4-Methoxy-6,6,9-trimethylbenzo[c]chromene-2,3-diol
PubChem CID: 10062529
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 383.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-6,6,9-trimethylbenzo[c]chromene-2,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OENHKPIJNUYYOD-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.613 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.275 |
| Compound Name | 4-Methoxy-6,6,9-trimethylbenzo[c]chromene-2,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.057384542857143 |
| Inchi | InChI=1S/C17H18O4/c1-9-5-6-12-10(7-9)11-8-13(18)14(19)16(20-4)15(11)21-17(12,2)3/h5-8,18-19H,1-4H3 |
| Smiles | CC1=CC2=C(C=C1)C(OC3=C(C(=C(C=C23)O)O)OC)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Bournei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nepeta Hindostana (Plant) Rel Props:Source_db:cmaup_ingredients