Tenaxin I
PubChem CID: 159029
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| Compound Synonyms | Tenaxin I, 86926-52-5, 5-hydroxy-2-(2-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxyphenyl)-6,7,8-trimethoxy-, 2',5-Dihdryoxy-6,7,8-trimethoxyflavone, DTXSID20235973, CHEMBL2315005, DTXCID50158464, HY-N12370, LMPK12111425, 5,2'-Dihydroxy-6,7,8-trimethoxyflavone, DA-78311, CS-0899372 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-hydroxy-2-(2-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCKBVAGWPBRRQJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.707 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.587 |
| Compound Name | Tenaxin I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5388778 |
| Inchi | InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-6-4-5-7-10(9)19)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3 |
| Smiles | COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Scutellaria Balcalensis (Plant) Rel Props:Source_db:npass_chem_all