Dihydroresveratrol
PubChem CID: 185914
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| Compound Synonyms | Dihydroresveratrol, 58436-28-5, 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, 3,4',5-Trihydroxybibenzyl, 5-(4-hydroxyphenethyl)benzene-1,3-diol, Dihydro-Resveratrol, CHEBI:4582, UNII-CBY43AY0TT, MFCD25973128, CBY43AY0TT, 1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethyl)-, alpha,beta-Dihydroresveratrol, CHEMBL111234, DTXSID60973983, ButanaMide, 4-aMino-N-ethyl-, Monohydrochloride, 151363-17-6, 5-(2-(4-HYDROXYPHENYL)ETHYL)BENZENE-1,3-DIOL, a, b-Dihydroresveratrol, 1,3-Benzenediol, 5-[2-(4-hydroxyphenyl)ethyl]-, 3ftu, 5-[2-(4-Hydroxyphenyl)ethyl]-1,3-benzenediol, 3,4',5-Trihydroxybibenzyl, 3,5,4'-Trihydroxybibenzyl, 5-(p-Hydroxyphenethyl)-resorcinol, , RE2, DHRSV, 3,5,4'-trihydroxybibenzyl, 3,4'',5-trihydroxybibenzyl, SCHEMBL716856, DTXCID901401422, GLXC-10968, HY-N3755, BDBM50085531, LMPK13090035, NSC723534, s6927, AKOS030555676, DB08466, NSC-723534, 4-(2-(3,5-Dihydroxyphenyl)ethyl)phenol, BS-17153, DA-38145, SY232649, CS-0024161, NS00068421, alpha,beta-dihydro-3,40,5-trihydroxystilbene, A12666, 5-[2-(4-Hydroxy-phenyl)-ethyl]-benzene-1,3-diol, Q5276414, 611-651-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Np Classifier Class | Monomeric stilbenes |
| Deep Smiles | Occcccc6))CCcccO)ccc6)O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Stilbenes |
| Description | A polyphenol metabolite detected in biological fluids [PhenolExplorer] |
| Scaffold Graph Node Level | C1CCC(CCC2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P09960, n.a., P11511, Q64669, O75762, P02766, P14679, P11344 |
| Iupac Name | 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Class | Stilbenes |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT2520 |
| Xlogp | 3.1 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H14O3 |
| Scaffold Graph Node Bond Level | c1ccc(CCc2ccccc2)cc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HITJFUSPLYBJPE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.553 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.048 |
| Synonyms | 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, 3,4',5-Trihydroxybibenzyl, Dihydro-resveratrol, dihydroresveratrol |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | Dihydroresveratrol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 230.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.526083541176471 |
| Inchi | InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2 |
| Smiles | C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Stilbenes |
| Np Classifier Superclass | Stilbenoids |
- 1. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bulbophyllum Triste (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362089 - 3. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysotoxum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Rheum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all