Oxyresveratrol
PubChem CID: 5281717
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| Compound Synonyms | Oxyresveratrol, 29700-22-9, Hydroxyresveratrol, Tetrahydroxystilbene, (E)-4-(3,5-Dihydroxystyryl)benzene-1,3-diol, trans-oxyresveratrol, 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol, Puag-haad, 4721-07-7, 1,3-Benzenediol, 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-, 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol, OXYLRESVERATROL, 2,4,3',5'-Tetrahydroxystilbene, CHEMBL43065, 6V071CP5CR, CHEBI:7870, DTXSID801030442, NSC 315550, trans-2,3',4,5'-tetrahydroxystilbene, trans-2,4,3',5'-tetrahydroxystilbene, 1,3-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-, (E)-, 4-(3,5-Dihydroxystyryl)benzene-1,3-diol, 1,3-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-, 2,3',4,5'-Tetrahydroxystilbene, 4-((E)-2-(3,5-dihydroxyphenyl)ethenyl)benzene-1,3-diol, UNII-6V071CP5CR, 1,3-BENZENEDIOL, 4-((1E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL)-, MFCD11974969, O-RES cpd, OXYRESVENOX, trans-Hydroxyresveratrol, Oxyresveratrol (Standard), MLS002473086, SCHEMBL501690, 3' 4 5'-tetrahydroxystilbene, MEGxp0_001057, REGID_for_CID_658108, ACon1_001063, cid_5281717, HY-N1430R, 4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,3-diol, PDHAOJSHSJQANO-OWOJBTEDSA-N, REGID_for_CID_5281717, DTXCID701515530, GLXC-19085, HMS2218H19, HMS3885N20, BCP24308, HY-N1430, BDBM50108046, LMPK13090011, NSC315550, s4739, Oxyresveratrol, >=97.0% (HPLC), AKOS015915071, AC-5279, CCG-266904, CS-5655, FO66295, NSC-315550, 2,3',4,5'-Tetrahydroxy-trans-stilbene, NCGC00169713-01, NCGC00169713-02, AS-35032, SMR001397189, trans-2,4,3'',5''-tetrahydroxystilbene, TRANS-STILBENE-2,4,3',5'-TETROL, N.357, NS00124301, O0373, 2,3',4,5'-STILBENETETROL, (E)-, EN300-7368059, EN300-18754447, Q7116143, Z2311627398, (oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,3-diol, NCGC00169713-02!4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol, 608-401-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Np Classifier Class | Monomeric stilbenes |
| Deep Smiles | Occcccc6)O))/C=C/cccO)ccc6)O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Stilbenes |
| Scaffold Graph Node Level | C1CCC(CCC2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 282.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P04798, P05177, Q16678, P14679, O42713, P23219, P35354, O75164, P04637, Q96QE3, O95149, P08659, P08253, P80244, P17405, P38398, Q77YF9, Q9NUW8, Q13148, O75874, P37840, P00591, P06276, A0A045ISB3, Q05209, Q9Y2R2, P18031, P9WIA1, P11344, P09917, O15056, O43426 |
| Iupac Name | 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT1603, NPT208, NPT1604, NPT741, NPT30, NPT31, NPT568, NPT439, NPT3997, NPT178, NPT570 |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O4 |
| Scaffold Graph Node Bond Level | C(=Cc1ccccc1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PDHAOJSHSJQANO-OWOJBTEDSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -2.181 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.156 |
| Synonyms | oxyresveratol, oxyresveratrol |
| Esol Class | Soluble |
| Functional Groups | c/C=C/c, cO |
| Compound Name | Oxyresveratrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.4607585333333333 |
| Inchi | InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+ |
| Smiles | C1=CC(=C(C=C1O)O)/C=C/C2=CC(=CC(=C2)O)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Stilbenoids |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Oxyphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artocarpus Chama (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Artocarpus Dadah (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artocarpus Lacucha (Plant) Rel Props:Reference:ISBN:9788172363130 - 5. Outgoing r'ship
FOUND_INto/from Artocarpus Lakoocha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Canthium Berberidifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Erythrina Variegata (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172363178 - 8. Outgoing r'ship
FOUND_INto/from Garcinia Quaesita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Leptactina Senegambica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Maclura Pomifera (Plant) Rel Props:Reference:ISBN:9788185042053 - 11. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Paeonia Lactiflora (Plant) Rel Props:Source_db:npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Smilax China (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Veratrum Grandiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all