Scortechinone U
PubChem CID: 44559274
Connections displayed (default: 10).
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| Compound Synonyms | SCORTECHINONE U, (2R)-5,8-dihydroxy-10-(2-hydroxypropan-2-yl)-1,1,2-trimethyl-4-(3-methylbut-2-enyl)-2H-furo(2,3-c)xanthen-6-one, (2R)-5,8-dihydroxy-10-(2-hydroxypropan-2-yl)-1,1,2-trimethyl-4-(3-methylbut-2-enyl)-2H-furo[2,3-c]xanthen-6-one, CHEMBL486992, 863024-46-8 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 768.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-5,8-dihydroxy-10-(2-hydroxypropan-2-yl)-1,1,2-trimethyl-4-(3-methylbut-2-enyl)-2H-furo[2,3-c]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C26H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZFQFSWIIKYKFR-CYBMUJFWSA-N |
| Fcsp3 | 0.4230769230769231 |
| Logs | -3.43 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.098 |
| Compound Name | Scortechinone U |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 438.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 438.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.647274000000001 |
| Inchi | InChI=1S/C26H30O6/c1-12(2)8-9-15-20(28)18-21(29)16-10-14(27)11-17(26(6,7)30)22(16)32-24(18)19-23(15)31-13(3)25(19,4)5/h8,10-11,13,27-28,30H,9H2,1-7H3/t13-/m1/s1 |
| Smiles | C[C@@H]1C(C2=C(O1)C(=C(C3=C2OC4=C(C3=O)C=C(C=C4C(C)(C)O)O)O)CC=C(C)C)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Garcinia Atroviridis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Reference: - 3. Outgoing r'ship
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FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Garcinia Echinocarpa (Plant) Rel Props:Reference: - 9. Outgoing r'ship
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FOUND_INto/from Garcinia Gaudichaudii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
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FOUND_INto/from Garcinia Scortechinii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 44. Outgoing r'ship
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FOUND_INto/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Saprosma Scortechinii (Plant) Rel Props:Reference: