Thunberginol C
PubChem CID: 10333412
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| Compound Synonyms | THUNBERGINOL C, 147517-06-4, Thunbergil C, 6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one, X3P5X86ZBF, 6,8-dihydroxy-3-(4-hydroxyphenyl)isochroman-1-one, DTXSID00438304, Tracylglycerol(54:6), 3,4-Dihydro-6,8-dihydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one, 1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-(4-hydroxyphenyl)-, 1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-(4-hydroxyphenyl)-, (+/-)-, Tracylglycerol(14:0/20:2/20:4), Tracylglycerol(14:0/20:2n6/20:4), Tracylglycerol(14:0/20:2w6/20:4), TAG(14:0/20:2n6/20:4), TAG(14:0/20:2w6/20:4), TG(14:0/20:2n6/20:4), TG(14:0/20:2w6/20:4), TAG(14:0/20:2/20:4), TG(14:0/20:2/20:4), UNII-X3P5X86ZBF, CHEMBL69267, SCHEMBL23067798, DTXCID60389126, BCP23561, HY-N1151, XFA51706, AKOS032948792, Triacylglycerol(14:0/20:2/20:4), DA-58552, FS-10392, Triacylglycerol(14:0/20:2n6/20:4n6), CS-0016441, Tag(14:0/20:2n6/20:4n6), Triacylglycerol(14:0/20:2W6/20:4W6), Tag(14:0/20:2W6/20:4W6), TG(14:0/20:2n6/20:4n6), Q7798880, TG(14:0/20:2W6/20:4W6), Tag(14:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)), Triacylglycerol(14:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)), NCGC00385856-01!6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one, Thunbergil C, 3,4-Dihydro-6,8-dihydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WMAITHDYVBQITD-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.344 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.513 |
| Compound Name | Thunberginol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6825872 |
| Inchi | InChI=1S/C15H12O5/c16-10-3-1-8(2-4-10)13-6-9-5-11(17)7-12(18)14(9)15(19)20-13/h1-5,7,13,16-18H,6H2 |
| Smiles | C1C(OC(=O)C2=C1C=C(C=C2O)O)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hydrangea Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tragopogon Porrifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all