9-O-Methyl-4-Hydroxyboeravinone B
PubChem CID: 487168
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 9-O-METHYL-4-HYDROXYBOERAVINONE B, 333798-10-0, 4,6,11-trihydroxy-9-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one, 4,6,11-Trihydroxy-9-methoxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 4,6,11-trihydroxy-9-methoxy-10-methyl-6H-chromeno(3,4-b)chromen-12-one, CHEMBL222240, INA79810, 4,6,11-Trihydroxy-9-methoxy-10-methylchromeno[2,3-c]chromen-12-one, AKOS032948283, FS-8720, CS-0023334, 4,6,11-TRIHYDROXY-9-METHOXY-10-METHYL-6H-5,7-DIOXATETRAPHEN-12-ONE |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9UNQ0 |
| Iupac Name | 4,6,11-trihydroxy-9-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTLOGFXLFFWJOX-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.403 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.197 |
| Compound Name | 9-O-Methyl-4-Hydroxyboeravinone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6928786000000002 |
| Inchi | InChI=1S/C18H14O7/c1-7-10(23-2)6-11-13(14(7)20)15(21)12-8-4-3-5-9(19)16(8)25-18(22)17(12)24-11/h3-6,18-20,22H,1-2H3 |
| Smiles | CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(OC4=C3C=CC=C4O)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mirabilis Jalapa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all