LL-Z 1271alpha
PubChem CID: 301929
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| Compound Synonyms | Oidiolactone B, LL-Z 1271alpha, 23660-12-0, NSC 180975, PR 1387, (1S,6S,9R,12S,16R)-6-methoxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione, 7-Methoxy-3a,10b-dimethyl-1,2,3,3aalpha,5aalpha,7,10bbeta,10calpha-octahydro-4H,9H-furo(2,3',4':4,5)naphtho(2,1-c)pyran-4,9-dione, (3aS,3a1R,5aR,7S,10bS)-7-methoxy-3a,10b-dimethyl-1,2,3,3a,3a1,5a,7,10b-octahydro-4H,9H-isobenzofuro[7,1-fg]isochromene-4,9-dione, (3aS-(3aalpha,5aalpha,7alpha,10bbeta,10calpha))-1,2,3,3a,5a,7,10b,10c-Octahydro-7-methoxy-3a,10b-dimethyl-4H,9H-furo(2',2',4':4,5-)naphtho(2,1-c)pyran-4,9-dione, 4H,9H-Furo(2',3',4':4,5)naphtho(2,1-c)pyran-4,9-dione, 1,2,3,3a,5abeta,7,10b,10cbeta-octahydro-7beta-methoxy-3abeta,10balpha-dimethyl-, (-)-, 7-methoxy-3a,10b-dimethyl-1,2,3,3a alpha,5a alpha,7,10b beta,10c alpha-octahydro-4H,9H-furo(2,3',4':4,5)naphtho(2,1-c)pyran-4,9-dione, LL-Z 1271alpha, 4H,9H-Furo(2',3',4':4,5)naphtho(2,1-c)pyran-4,9-dione, 1,2,3,3a,5a,7,10b,10c-octahydro-7-methoxy-3a,10b-dimethyl-, (3aS-(3aalpha,5aalpha,7alpha,10bbeta,10calpha))-, LL-Z1271alpha, (1S,6S,9R,12S,16R)-6-methoxy-1,12-dimethyl-5,10-dioxatetracyclo(7.6.1.02,7.012,16)hexadeca-2,7-diene-4,11-dione, LL-Z1271, LL Z1271.alpha., LL-Z 1271.alpha., LL Z1271d, Antibiotic LL Z1271.alpha., ANTIBIOTIC LL-Z1271A, CHEMBL480480, SCHEMBL7497165, Antibiotic LL-Z 1271.alpha., CHEBI:198883, NSC180975, AKOS040753357, NSC-180975, (3aS-(3a alpha,5a alpha,7 alpha,10b beta,10c alpha))-1,2,3,3a,5a,7,10b,10c-octahydro-7-methoxy-3a,10b-dimethyl-4H,9H-furo(2',2',4':4,5-)naphtho(2,1-c)pyran-4,9-dione, 4H,3',4':4,5]naphtho[2,1-c]pyran-4,9-dione, 1,2,3,3a,5a,7,10b,10c-octahydro-7-methoxy-3a,10b-dimethyl-, [3aS-(3a.alpha.,5a.alpha.,7.alpha.,10b.beta.,10c.alpha.)]-, 4H,3',4':4,5]naphtho[2,1-c]pyran-4,9-dione, 1,2,3,3a,5a.beta.,7,10b,10c.beta.-octahydro-7.beta.-methoxy-3a.beta.,10b.alpha.-dimethyl-, (-)-, 4H,9H-Furo(2',3',4':4,5)naphtho(2,1-c)pyran-4,9-dione, 1,2,3,3a,5abeta,7,10b,10cbeta-octahydro-7beta-methoxy-3abeta,10balpha-dimethyl-, (-)-(8CI), LL-Z 1271alpha, 4H,9H-Furo(2',3',4':4,5)naphtho(2,1-c)pyran-4,9-dione, 1,2,3,3a,5a,7,10b,10c-octahydro-7-methoxy-3a,10b-dimethyl-, (3aS-(3aalpha,5aalpha,7alpha,10bbeta,10calpha))-(9CI) |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 633.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,6S,9R,12S,16R)-6-methoxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C17H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XFWZBMTTXLUWKW-YIUHCBHRSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -3.687 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.38 |
| Compound Name | LL-Z 1271alpha |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 304.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7697204 |
| Inchi | InChI=1S/C17H20O5/c1-16-5-4-6-17(2)13(16)11(21-15(17)19)7-9-10(16)8-12(18)22-14(9)20-3/h7-8,11,13-14H,4-6H2,1-3H3/t11-,13-,14+,16-,17+/m1/s1 |
| Smiles | C[C@]12CCC[C@]3([C@@H]1[C@@H](C=C4C2=CC(=O)O[C@@H]4OC)OC3=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lactuca Serriola (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Myrica Nagi (Plant) Rel Props:Source_db:cmaup_ingredients