abyssinone C
PubChem CID: 70678675
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| Compound Synonyms | abyssinone C, (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)prop-2-en-1-one, CHEBI:65359, Q27133801 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | VRYBZCIONJZZPL-ZZXKWVIFSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Compound Name | abyssinone C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.121 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,4-dihydroxyphenyl)-3-(3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-en-1-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Esol | -3.583701488888889 |
| Inchi | InChI=1S/C20H20O7/c1-20(2)19(26)17(25)13-7-10(8-16(24)18(13)27-20)3-6-14(22)12-5-4-11(21)9-15(12)23/h3-9,17,19,21,23-26H,1-2H3/b6-3+ |
| Smiles | CC1(C(C(C2=C(O1)C(=CC(=C2)/C=C/C(=O)C3=C(C=C(C=C3)O)O)O)O)O)C |
| Xlogp | 2.1 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C20H20O7 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients