Tupichinol C
PubChem CID: 11064571
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| Compound Synonyms | TUPICHINOL C, (2R)-7,4'-Dihydroxylflavan, CHEMBL463804, 118204-66-3, (2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol, (2R)-7,4''-Dihydroxylflavan, BDBM50320309, HY-N10870, (R)-2-(4-hydroxyphenyl)chroman-7-ol, DA-78703, CS-0637306 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 273.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., Q92731, P03372 |
| Iupac Name | (2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT248, NPT108 |
| Xlogp | 3.1 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YXMLGIGHGPSEKA-CQSZACIVSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.293 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.135 |
| Compound Name | Tupichinol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7224321333333332 |
| Inchi | InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m1/s1 |
| Smiles | C1CC2=C(C=C(C=C2)O)O[C@H]1C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Kazinoki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tupistra Chinensis (Plant) Rel Props:Source_db:npass_chem_all