Dendrocandin E
PubChem CID: 25208515
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| Compound Synonyms | Dendrocandin E, 3,3',4,4'-tetrahydroxy-5-methoxybibenzyl, 5-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxybenzene-1,2-diol, CHEBI:65745, 5-(2-(3,4-dihydroxyphenyl)ethyl)-3-methoxybenzene-1,2-diol, CHEMBL5289144, Q27134227 |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxybenzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LQWUHEDAVONVEF-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.618 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.448 |
| Compound Name | Dendrocandin E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 276.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4276856 |
| Inchi | InChI=1S/C15H16O5/c1-20-14-8-10(7-13(18)15(14)19)3-2-9-4-5-11(16)12(17)6-9/h4-8,16-19H,2-3H2,1H3 |
| Smiles | COC1=CC(=CC(=C1O)O)CCC2=CC(=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients