Anigopreissin A
PubChem CID: 636473
Connections displayed (default: 10).
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| Compound Synonyms | Anigopreissin A, CHEMBL3593481, 1,3-benzenediol, 5-[4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-, 5-{4-Hydroxy-2-(4-hydroxy-phenyl)-6-[2-(4-hydroxy-phenyl)-vinyl]-benzofuran-3-yl}-benzene-1,3-diol, 5-{4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-1-benzofuran-3-yl}benzene-1,3-diol, 1,3-benzenediol, 5-(4-hydroxy-2-(4-hydroxyphenyl)-6-((E)-2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-, 5-(4-Hydroxy-2-(4-hydroxy-phenyl)-6-(2-(4-hydroxy-phenyl)-vinyl)-benzofuran-3-yl)-benzene-1,3-diol, 5-(4-hydroxy-2-(4-hydroxyphenyl)-6-((E)-2-(4-hydroxyphenyl)vinyl)-1-benzofuran-3-yl)benzene-1,3-diol, BDBM50519373, 181480-72-8 |
|---|---|
| Topological Polar Surface Area | 114.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 672.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q72547 |
| Iupac Name | 5-[4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.1 |
| Molecular Formula | C28H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PKURHFYJMWBEEX-OWOJBTEDSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.707 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.86 |
| Compound Name | Anigopreissin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 452.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 452.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.81821145882353 |
| Inchi | InChI=1S/C28H20O6/c29-20-7-3-16(4-8-20)1-2-17-11-24(33)27-25(12-17)34-28(18-5-9-21(30)10-6-18)26(27)19-13-22(31)15-23(32)14-19/h1-15,29-33H/b2-1+ |
| Smiles | C1=CC(=CC=C1/C=C/C2=CC(=C3C(=C2)OC(=C3C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Hippocastanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Andrographis Viscosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Anthocercis Albicans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Chenopodium Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Diospyros Canaliculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Euclea Crispa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lindera Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Senna Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Tiliacora Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Verbascum Laxum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all