Erysenegalensein N
PubChem CID: 49768588
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| Compound Synonyms | Erysenegalensein N, 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methyl-but-3-enyl)-8-(3-methylbut-2-enyl)chromen-4-one, 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 768.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C25H26O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LFMQYXZSJKQEKQ-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.79 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.689 |
| Compound Name | Erysenegalensein N |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 438.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 438.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2604512 |
| Inchi | InChI=1S/C25H26O7/c1-12(2)5-7-16-22(29)17(10-19(27)13(3)4)23(30)21-24(31)18(11-32-25(16)21)15-8-6-14(26)9-20(15)28/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3 |
| Smiles | CC(=CCC1=C(C(=C(C2=C1OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)CC(C(=C)C)O)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Senegalensis (Plant) Rel Props:Source_db:cmaup_ingredients