Bussealin D
PubChem CID: 50900322
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| Compound Synonyms | Bussealin D, CHEBI:70351, 3-methoxy-6-(3-(2,4,5-trimethoxyphenyl)propyl)benzene-1,2-diol, 3-methoxy-6-[3-(2,4,5-trimethoxyphenyl)propyl]benzene-1,2-diol, CHEMBL1631158, Q27138692 |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-6-[3-(2,4,5-trimethoxyphenyl)propyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C19H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JUBOCNOOUXAKKN-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -4.224 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.072 |
| Compound Name | Bussealin D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 348.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 348.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.252749 |
| Inchi | InChI=1S/C19H24O6/c1-22-14-9-8-12(18(20)19(14)21)6-5-7-13-10-16(24-3)17(25-4)11-15(13)23-2/h8-11,20-21H,5-7H2,1-4H3 |
| Smiles | COC1=C(C(=C(C=C1)CCCC2=CC(=C(C=C2OC)OC)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bussea Sakalava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all