Fukanefuromarin F
PubChem CID: 70697748
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| Compound Synonyms | fukanefuromarin F, CHEBI:65926, (2R*,3R*)-7-methoxy-2,3-dimethyl-3-[(3E)-4-methyl-5-(4-methylfuran-2-yl)pent-3-en-1-yl]-2,3-dihydro-4H-furo[3,2-c]chromen-4-one, 2,3-dihydro-7-methoxy-2R*,3R*-dimethyl-3-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin, (2R*,3R*)-7-methoxy-2,3-dimethyl-3-((3E)-4-methyl-5-(4-methylfuran-2-yl)pent-3-en-1-yl)-2,3-dihydro-4H-furo(3,2-c)chromen-4-one, (2R,3R)-7-methoxy-2,3-dimethyl-3-((E)-4-methyl-5-(4-methylfuran-2-yl)pent-3-enyl)-2H-furo(3,2-c)chromen-4-one, (2R,3R)-7-methoxy-2,3-dimethyl-3-[(E)-4-methyl-5-(4-methylfuran-2-yl)pent-3-enyl]-2H-furo[3,2-c]chromen-4-one, 2,3-Dihydro-7-methoxy-2R*,3R*-dimethyl-3-(4-methyl-5-(4-methyl-2-furyl)-3(e)-pentenyl)-furo(3,2-c)coumarin, Q27134425 |
|---|---|
| Topological Polar Surface Area | 57.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 725.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-7-methoxy-2,3-dimethyl-3-[(E)-4-methyl-5-(4-methylfuran-2-yl)pent-3-enyl]-2H-furo[3,2-c]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C25H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQRPFWMTIIMDKU-PCHPTOQVSA-N |
| Fcsp3 | 0.4 |
| Logs | -6.777 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.295 |
| Compound Name | Fukanefuromarin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 408.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.666762800000001 |
| Inchi | InChI=1S/C25H28O5/c1-15(11-19-12-16(2)14-28-19)7-6-10-25(4)17(3)29-23-20-9-8-18(27-5)13-21(20)30-24(26)22(23)25/h7-9,12-14,17H,6,10-11H2,1-5H3/b15-7+/t17-,25+/m1/s1 |
| Smiles | C[C@@H]1[C@](C2=C(O1)C3=C(C=C(C=C3)OC)OC2=O)(C)CC/C=C(\C)/CC4=CC(=CO4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients