(8S)-5-hydroxy-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
PubChem CID: 44310181
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL305510, BDBM50404364 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P04406 |
| Iupac Name | (8S)-5-hydroxy-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1224 |
| Xlogp | 2.9 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZKVAWHGWTAJAEK-NSHDSACASA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.09 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.524 |
| Compound Name | (8S)-5-hydroxy-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.436536311111111 |
| Inchi | InChI=1S/C14H12O4/c1-7(2)11-5-9-12(17-11)6-10(15)8-3-4-13(16)18-14(8)9/h3-4,6,11,15H,1,5H2,2H3/t11-/m0/s1 |
| Smiles | CC(=C)[C@@H]1CC2=C(O1)C=C(C3=C2OC(=O)C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachniodes Mutica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Flueggea Microcarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Gentiana Strictiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Glinus Oppositifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Jasione Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Jurinea Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Machilus Odoratissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Machilus Zuihoensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Mycetia Nutans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Pilocarpus Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Psiadia Anchusifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Sideritis Perfoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Zanthoxylum Chiloperone (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all