(3S,4S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
PubChem CID: 11464574
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL490527 |
|---|---|
| Topological Polar Surface Area | 81.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 586.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,4S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C23H26O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AIIBKXWZZGYRAR-CVEARBPZSA-N |
| Fcsp3 | 0.4347826086956521 |
| Logs | -4.402 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.36 |
| Compound Name | (3S,4S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 430.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 430.163 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 430.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.617160212903227 |
| Inchi | InChI=1S/C23H26O8/c1-25-17-8-14(9-18(26-2)21(17)28-4)6-16-15(11-29-23(16)24)5-13-7-19(27-3)22-20(10-13)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3/t15-,16+/m1/s1 |
| Smiles | COC1=CC(=CC2=C1OCO2)C[C@@H]3COC(=O)[C@H]3CC4=CC(=C(C(=C4)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peperomia Duclouxii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Peperomia Heyneana (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Peperomia Pellucida (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Peperomia Proctorii (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Peperomia Tetraphylla (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Peperomia Villipetiola (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Peperomia Vulcanica (Plant) Rel Props:Reference: