Podoverine A
PubChem CID: 13911680
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| Compound Synonyms | Podoverine A, 107882-43-9, 2-(3,4-Dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one, 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-methoxychromen-4-one, Podoverin A, 2-(3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl)-5,7-dihydroxy-3-methoxychromen-4-one, CHEMBL3334619, GLXC-15189, AKOS040753590 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 651.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9BUF5 |
| Iupac Name | 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C21H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MGFXFQXRHGAKQN-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.911 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.894 |
| Compound Name | Podoverine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 384.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.801237942857144 |
| Inchi | InChI=1S/C21H20O7/c1-10(2)4-5-12-13(6-7-14(23)18(12)25)20-21(27-3)19(26)17-15(24)8-11(22)9-16(17)28-20/h4,6-9,22-25H,5H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eremophila Mitchellii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Podophyllum Versipelle (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all