4-(2-(3,5-Dihydroxyphenyl)Ethenyl)Benzene-1,2-Diol
PubChem CID: 4813
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol, Astringenin, trans-Piceatannol, MLS003171221, 4-(2-(3,5-Dihydroxyphenyl)Ethenyl)Benzene-1,2-Diol, PICESTANNOL, Kinome_2842, KBioGR_000460, KBioSS_000460, CHEMBL1972346, KBio2_000460, KBio2_003028, KBio2_005596, KBio3_000859, KBio3_000860, DTXSID20860062, CDRPUGZCRXZLFL-UHFFFAOYSA-N, 3,3',4',5-tetrahydroxystilbene, Bio2_000400, Bio2_000880, HMS3268E09, HMS3372C20, HMS3656L16, 3,3a(2),4,5a(2)-Stilbenetetrol, AKOS030228081, NCGC00094226-11, NCI60_003368, SMR001875127, SY052694, Q27164196 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 282.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q14164, P49760, P53779, Q02779, Q9UQM7, Q02750, Q9UHD2, Q9UM73, Q96L34, Q04759, P07333, O60674, P29376, P07949, P51812, O95819, Q13627, Q13188, P08631, Q96RR4, Q9Y463, Q5S007, O75116, Q9HBY8, P27448, P35968, Q07912, P51817, P34947, P06239, Q7L7X3, P11362, P08922, P49840, Q9H0K1, Q05397, P36888, Q06418, P48729, Q04771, Q14680, P52333, P16234, Q06187, P11309, P49336, P49841, Q13464, P17612, P17948, Q8IU85, Q9HCT0, n.a., P55210, Q14790, P55212 |
| Iupac Name | 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT3275, NPT1682, NPT3207, NPT3327, NPT1674, NPT3417, NPT1661, NPT3318, NPT887, NPT3246, NPT3309, NPT3370, NPT1705, NPT3316, NPT3114, NPT3331, NPT3205, NPT1678, NPT3274, NPT3448, NPT3107, NPT3456, NPT3280, NPT3245, NPT3262, NPT3457, NPT3431, NPT1480, NPT3373, NPT676, NPT3290, NPT1436, NPT3277, NPT3168, NPT3287, NPT3282, NPT1440, NPT3020, NPT833, NPT1265, NPT3324, NPT591, NPT592, NPT1703, NPT301, NPT1672, NPT867 |
| Xlogp | 2.9 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDRPUGZCRXZLFL-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.099 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.103 |
| Compound Name | 4-(2-(3,5-Dihydroxyphenyl)Ethenyl)Benzene-1,2-Diol |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.517458533333333 |
| Inchi | InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H |
| Smiles | C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bombax Ceiba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Endiandra Xanthocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eucalyptus Sideroxylon (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Helichrysum Subulifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Hemsleya Graciliflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Primula Elatior (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Senna Lindheimeriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all