Demthyl furopinnarin
PubChem CID: 5316520
Connections displayed (default: 10).
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| Compound Synonyms | demthyl furopinnarin, MLS002472907, CHEMBL1734870, HMS2267F11, SMR001397018 |
|---|---|
| Topological Polar Surface Area | 59.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 453.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q96QE3, Q9UNA4, P84022, P16473, O75496, Q99700, O75874, Q03431 |
| Iupac Name | 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XYCSWDLNRXCFHA-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.07 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.823 |
| Compound Name | Demthyl furopinnarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2570608 |
| Inchi | InChI=1S/C16H14O4/c1-4-16(2,3)12-14-10(7-8-19-14)13(18)9-5-6-11(17)20-15(9)12/h4-8,18H,1H2,2-3H3 |
| Smiles | CC(C)(C=C)C1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ferulago Capillaries (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all