Longipedlactone F
PubChem CID: 11705931
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Longipedlactone F, 900783-87-1, LongilactoneF, Longilactone F, (1S,9S,10R,12S,13R,18R)-1,10-dihydroxy-8,8,13-trimethyl-17-methylidene-16-((1R)-1-((2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl)-7-oxatetracyclo(10.7.0.03,9.013,18)nonadeca-2,4,15-trien-6-one, (1S,9S,10R,12S,13R,18R)-1,10-dihydroxy-8,8,13-trimethyl-17-methylidene-16-[(1R)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4,15-trien-6-one, CHEMBL1087056 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1140.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (1S,9S,10R,12S,13R,18R)-1,10-dihydroxy-8,8,13-trimethyl-17-methylidene-16-[(1R)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4,15-trien-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.3 |
| Molecular Formula | C30H38O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SJCQJLRZUFTNFT-IHRMUONJSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.4 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.366 |
| Compound Name | Longipedlactone F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 494.267 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 494.267 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 494.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.878893600000002 |
| Inchi | InChI=1S/C30H38O6/c1-16-7-9-23(35-27(16)33)18(3)20-11-12-29(6)21(17(20)2)15-30(34)14-19-8-10-25(32)36-28(4,5)26(19)22(31)13-24(29)30/h7-8,10-11,14,18,21-24,26,31,34H,2,9,12-13,15H2,1,3-6H3/t18-,21+,22-,23-,24+,26+,29-,30-/m1/s1 |
| Smiles | CC1=CC[C@@H](OC1=O)[C@H](C)C2=CC[C@]3([C@@H]4C[C@H]([C@@H]5C(=C[C@]4(C[C@H]3C2=C)O)C=CC(=O)OC5(C)C)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kadsura Ananosma (Plant) Rel Props:Source_db:cmaup_ingredients