Lindenanolide G
PubChem CID: 3005471
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| Compound Synonyms | Lindenanolide G, methyl (2Z)-2-[(4R,4aS,5S,5aR,6aS,6bS)-4-hydroxy-5-(hydroxymethyl)-5,6b-dimethyl-2-oxo-4a,5a,6,6a-tetrahydro-4H-cyclopropa[[?]:[?]]cyclopenta[[?]]pyran-3-ylidene]propanoate, Propanoic acid, 2-[(4R,4aS,5S,5aR,6aS,6bS)-hexahydro-4-hydroxy-5-(hydroxymethyl)-5,6b-dimethyl-2-oxo-2H-cyclopropa[4,5]cyclopenta[1,2-b]pyran-3(4H)-ylidene]-, methyl ester, (2Z)- |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 581.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | methyl (2Z)-2-[(1S,2S,4R,5S,6S,7R)-7-hydroxy-5-(hydroxymethyl)-1,5-dimethyl-9-oxo-10-oxatricyclo[4.4.0.02,4]decan-8-ylidene]propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C16H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XZJWQSHQHLHWSV-KDAXADQDSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.408 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.696 |
| Compound Name | Lindenanolide G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 310.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 310.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8244452000000004 |
| Inchi | InChI=1S/C16H22O6/c1-7(13(19)21-4)10-11(18)12-15(2,6-17)8-5-9(8)16(12,3)22-14(10)20/h8-9,11-12,17-18H,5-6H2,1-4H3/b10-7-/t8-,9+,11+,12-,15+,16+/m1/s1 |
| Smiles | C/C(=C/1\[C@@H]([C@@H]2[C@@]([C@@H]3C[C@@H]3[C@@]2(OC1=O)C)(C)CO)O)/C(=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chukrasia Tabularis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lindera Chunii (Plant) Rel Props:Source_db:cmaup_ingredients