2880-II
PubChem CID: 6450059
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| Compound Synonyms | Streptomyces metabolite 2880 II, 2880 II, 2880-II, N-(3-Hydroxy-1-oxocyclopent-2-en-2-yl)-3-(4-hydroxy-3-methoxyphenyl)propenamide, 117820-36-7, (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(2-hydroxy-5-oxocyclopenten-1-yl)prop-2-enamide, 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-, (E)-, SCHEMBL17867253, CHEBI:141375, (2E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)prop-2-enimidate |
|---|---|
| Topological Polar Surface Area | 95.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(2-hydroxy-5-oxocyclopenten-1-yl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C15H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CFEPRQRWNQBOCI-XVNBXDOJSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.179 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.409 |
| Compound Name | 2880-II |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 289.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.095 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 289.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5386079714285708 |
| Inchi | InChI=1S/C15H15NO5/c1-21-13-8-9(2-4-10(13)17)3-7-14(20)16-15-11(18)5-6-12(15)19/h2-4,7-8,17-18H,5-6H2,1H3,(H,16,20)/b7-3+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)NC2=C(CCC2=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Virginiana (Plant) Rel Props:Source_db:cmaup_ingredients