Fukanefurochromone B
PubChem CID: 11589332
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| Compound Synonyms | Fukanefurochromone B, 2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]furo[3,2-b]chromone, (2R,3R)-2-((3E)-4,8-dimethyl-6-oxonona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo(2,3-b)chromen-4-one, (2R,3R)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one, 2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-(4,8-dimethyl-3(E),7-nonadien-6-onyl)furo(3,2-b)chromone, CHEMBL456950, 864370-10-5 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 770.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C24H28O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OROKUKZIDYKSRX-BAFNZYHESA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -3.896 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.101 |
| Compound Name | Fukanefurochromone B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 396.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 396.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.948267013793105 |
| Inchi | InChI=1S/C24H28O5/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21-22(27)19-9-8-17(25)13-20(19)28-23(21)29-24/h7-9,11,13,16,25H,6,10,12H2,1-5H3/b15-7+/t16-,24-/m1/s1 |
| Smiles | C[C@@H]1C2=C(OC3=C(C2=O)C=CC(=C3)O)O[C@]1(C)CC/C=C(\C)/CC(=O)C=C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ferula Alliacea (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Ferula Ammoniacum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Ferula Arrigonii (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ferula Asafoetida (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Ferula Assafoetida (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Ferula Borealis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Ferula Foetida (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Ferula Galbaniflua (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Ferula Gummosa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Ferula Jaeschkeana (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Ferula Kuhistanica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Ferula Moschata (Plant) Rel Props:Reference: - 14. Outgoing r'ship
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FOUND_INto/from Ferula Narthex (Plant) Rel Props:Reference: - 16. Outgoing r'ship
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FOUND_INto/from Ferula Ovina (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Ferula Persica (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Ferula Polyantha (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Ferula Transiliensis (Plant) Rel Props:Reference: