Senkyunolide P
PubChem CID: 91731751
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| Compound Synonyms | Senkyunolide P, YTEUTQUNVHWZOR-WSVATBPTSA-N, (1S,5R,5aR,10bR,10cR,Z)-1-Butyl-8-butylidene-5,5a,6,7-tetrahydro-1H-5,10c-ethanonaphtho[1,2-c:7,8-c']difuran-3,10(8H,10bH)-dione, 1H-5,10c-Ethanonaphtho[1,2-c:7,8-c']difuran-3,10-dione, 1-butyl-8-butylidene-5,5a,6,7,8,10b-hexahydro-, (1S,5R,5aR,8Z,10bR,10cR)-, 1H-5,10c-Ethanonaphtho[1,2-c:7,8-c']difuran-3,10-dione, 1-butyl-8-butylidene-5,5a,6,7,8,10b-hexahydro-, [1S-(1.alpha.,5.alpha.,5a.alpha.,8Z,10b.alpha.,10c.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 816.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z)-16-butyl-6-butylidene-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C24H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTEUTQUNVHWZOR-WSVATBPTSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.067 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.195 |
| Compound Name | Senkyunolide P |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 382.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.1134 |
| Inchi | InChI=1S/C24H30O4/c1-3-5-7-18-16-10-9-15-14-11-12-24(21(15)20(16)23(26)27-18)17(13-14)22(25)28-19(24)8-6-4-2/h7,13-15,19,21H,3-6,8-12H2,1-2H3/b18-7- |
| Smiles | CCCCC1C23CCC(C=C2C(=O)O1)C4C3C5=C(CC4)/C(=C/CCC)/OC5=O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients