Abyssinoflavone V
PubChem CID: 16737249
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| Compound Synonyms | ABYSSINOFLAVONE V, CHEMBL229170, BDBM50212394, (2S)-2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one, 2S-5,7-dihydroxy-2'''',2''''-dimethylpyrano[5'''',6'''':3'',4'']-flavanone |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 556.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P18031 |
| Iupac Name | (2S)-2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WQCFPYAJTXOZMT-KRWDZBQOSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.423 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.721 |
| Compound Name | Abyssinoflavone V |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6210258 |
| Inchi | InChI=1S/C20H18O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)17-10-15(23)19-14(22)8-13(21)9-18(19)24-17/h3-9,17,21-22H,10H2,1-2H3/t17-/m0/s1 |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all