Bannamurpanisin
PubChem CID: 633619
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| Compound Synonyms | Bannamurpanisin, 80324-51-2, 5,7,8,3',4',5'-hexamethoxyflavone, Compound NP-025444, SCHEMBL16894618, QLVJRZMVFHRFAV-UHFFFAOYSA-N, 5,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one, LMPK12111416, AKOS040736726, 3',4',5',5,7,8-Hexamethoxyflavone, 5,7,8-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one #, 5,7,8,3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka-Hexamethoxyflavone |
|---|---|
| Topological Polar Surface Area | 81.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 579.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C21H22O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QLVJRZMVFHRFAV-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.473 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.847 |
| Compound Name | Bannamurpanisin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 402.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.131 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 402.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.679749662068967 |
| Inchi | InChI=1S/C21H22O8/c1-23-14-10-17(26-4)20(28-6)21-18(14)12(22)9-13(29-21)11-7-15(24-2)19(27-5)16(8-11)25-3/h7-10H,1-6H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients