Ebracteolata compound B
PubChem CID: 902138
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| Compound Synonyms | Ebracteolata cpd B, 83459-37-4, 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)ethanone, Ebracteolata compound B, 2,4-Dihydroxy-6-methoxy-3-methylacetophenone, 2,4Dihydroxy6methoxy3methylacetophenone, X0457TK6C8, UNII-X0457TK6C8, 2, 4-Dihydroxy-6-methoxy-3-methyl-acetophenone, Ethanone, 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-, EbracteolatacpdB, 1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)ethan-1-one, CHEBI:228971, HY-N7893, IDA45937, AKOS040761650, FS-8054, DA-72988, CS-0138757, AK-087/41104739 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RFKMWWMZUHXFBA-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.614 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.199 |
| Compound Name | Ebracteolata compound B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 196.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.362995257142857 |
| Inchi | InChI=1S/C10H12O4/c1-5-7(12)4-8(14-3)9(6(2)11)10(5)13/h4,12-13H,1-3H3 |
| Smiles | CC1=C(C(=C(C=C1O)OC)C(=O)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Ebracteolata (Plant) Rel Props:Source_db:cmaup_ingredients