Ludovicin A
PubChem CID: 168722
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| Compound Synonyms | Ludovicin A, 27740-13-2, CHEBI:6560, (1S,2S,6S,9R,10S,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-4-one, 22740-13-2, Oxireno(7,8)naphtho(1,2-b)furan-7(2H)-one, decahydro-3-hydroxy-3a,8c-dimethyl-6-methylene-, (1aR-(1aalpha,3beta,3aalpha,5abeta,8aalpha,8bbeta,8calpha))-, C09498, CHEMBL425189, (1S,2S,6S,9R,10S,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo(7.5.0.02,6.012,14)tetradecan-4-one, DTXSID70945414, (1aR,5aalpha,8abeta,8balpha)-1abeta,3,3a,4,5,5a,6,8a,8b,8c-Decahydro-3alpha-hydroxy-3abeta,8cbeta-dimethyl-6-methyleneoxireno[7,8]naphtho[1,2-b]furan-7(2H)-one, AKOS040752722, Q27107244, 3-Hydroxy-3a,8c-dimethyl-6-methylidenedecahydrooxireno[7,8]naphtho[1,2-b]furan-7(2H)-one |
|---|---|
| Topological Polar Surface Area | 59.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 487.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,2S,6S,9R,10S,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C15H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OAWNDSFRANSMHG-PDIQHLCYSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.3 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.175 |
| Compound Name | Ludovicin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3985901999999997 |
| Inchi | InChI=1S/C15H20O4/c1-7-8-4-5-14(2)9(16)6-10-15(3,19-10)12(14)11(8)18-13(7)17/h8-12,16H,1,4-6H2,2-3H3/t8-,9-,10+,11-,12+,14-,15+/m0/s1 |
| Smiles | C[C@@]12CC[C@@H]3[C@@H]([C@H]1[C@]4([C@H](O4)C[C@@H]2O)C)OC(=O)C3=C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Ludoviciana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Luffa Aegyptiaca (Plant) Rel Props:Source_db:cmaup_ingredients