Abyssinone A
PubChem CID: 70678680
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| Compound Synonyms | Abyssinone A, (2E)-1-(2,4-dihydroxyphenyl)-3-(8-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-one, CHEBI:65358, DTXSID201121114, Q27133800, (2E)-1-(2,4-Dihydroxyphenyl)-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-2-propen-1-one, 1039071-39-0 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 552.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,4-dihydroxyphenyl)-3-(8-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OKKOOVXXLBMKQH-ZZXKWVIFSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.94 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.639 |
| Compound Name | Abyssinone A |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.6780257999999995 |
| Inchi | InChI=1S/C20H18O5/c1-20(2)8-7-13-9-12(10-18(24)19(13)25-20)3-6-16(22)15-5-4-14(21)11-17(15)23/h3-11,21,23-24H,1-2H3/b6-3+ |
| Smiles | CC1(C=CC2=C(O1)C(=CC(=C2)/C=C/C(=O)C3=C(C=C(C=C3)O)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients