Isouvaretin
PubChem CID: 151670
Connections displayed (default: 10).
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| Compound Synonyms | Isouvaretin, 61463-03-4, 1-[4,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-2-methoxyphenyl]-3-phenylpropan-1-one, Chamuvarin, 1-(4,6-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone, 1-Propanone, 1-(4,6-dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-, CHAMUVARITIN II, C09759, CHEBI:6068, CHEMBL5274935, DTXSID60210406, LMPK12120467, NSC295674, NSC 295674, NSC-295674, Q27107021 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[4,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-2-methoxyphenyl]-3-phenylpropan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C23H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WKYGVDYQMIWYES-UHFFFAOYSA-N |
| Fcsp3 | 0.1739130434782608 |
| Logs | -3.9 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.728 |
| Compound Name | Isouvaretin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 378.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.268043085714286 |
| Inchi | InChI=1S/C23H22O5/c1-28-23-17(13-16-9-5-6-10-18(16)24)20(26)14-21(27)22(23)19(25)12-11-15-7-3-2-4-8-15/h2-10,14,24,26-27H,11-13H2,1H3 |
| Smiles | COC1=C(C(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O)CC3=CC=CC=C3O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anabasis Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pentanema Indicum (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Swertia Cincta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Trichodesma Zeylanicum (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Uvaria Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Uvaria Angolensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Uvaria Chamae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all