Idronoxil
PubChem CID: 219100
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| Compound Synonyms | Phenoxodiol, Idronoxil, Dehydroequol, 81267-65-4, Haginin E, 3-(4-Hydroxyphenyl)-2H-chromen-7-ol, 3-(4-Hydroxyphenyl)-2H-1-benzopyran-7-ol, NV 06, NV-06, Idronoxil [USAN], 2H-1-Benzopyran-7-ol, 3-(4-hydroxyphenyl)-, Idronoxilo, CCRIS 8949, Idronoxil [USAN:INN], 7-hydroxy-3-hydroxyphenyl-1H-benzopyran, IDRONOXIL [INN], DEHYDROEQUOL [MI], 995FT1W541, IDRONOXIL [WHO-DD], Idronoxil, Dehydroequol, Haginin E, DTXSID50231029, NOX-66 COMPONENT IDRONOXIL, NOX66 SUPPOSITORY COMPONENT IDRONOXIL, 7,4'-Dihydroxyisoflav-3-ene, (+/-)-CIS-3-(4-HYDROXYPHENYL)-4-(4-METHOXYPHENYL)-3,4-DIHYDRO-2H-CROMEN-7-OL, Idronoxil (USAN/INN), idronoxilum, Haganin E, UNII-995FT1W541, 2H-1-benzopyran-7-0,1,3-(4-hydroxyphenyl), MFCD06636630, Phenoxodiol (Haginin E), isoflav-3-ene4',7-diol, isoflav-3-ene-4',7-diol, MLS006010720, SCHEMBL149612, 4',7-dihydroxyisoflav-3-ene, CHEMBL1957038, Phenoxodiol, >=98% (HPLC), DTXCID00153520, ZZUBHVMHNVYXRR-UHFFFAOYSA-N, GLXC-03680, BDBM50419932, NV-06?, s9634, AKOS015918005, DB04915, 3-(4-hydroxy-phenyl)-2H-chromen-7-ol, NCGC00346822-01, NCGC00346822-02, HY-13721, MS-23403, SMR004701684, XD161694, DB-012327, CS-0007751, NS00068498, D04498, G13355, IDRONOXIL COMPONENT OF NOX66 SUPPOSITORY, BRD-K74671368-001-01-8, Q27095562, 7,4?-Dihydroxyisoflav-3-ene, 3-(4-Hydroxyphenyl)-2H-1-benzopyran-7-ol, Haginin E, 663-523-9 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P06211, n.a. |
| Iupac Name | 3-(4-hydroxyphenyl)-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZZUBHVMHNVYXRR-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.044 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.124 |
| Compound Name | Idronoxil |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4705329333333332 |
| Inchi | InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2 |
| Smiles | C1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Homoloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all