11-O-Methylcorniculatolide A
PubChem CID: 57331850
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| Compound Synonyms | 11-O-Methylcorniculatolide A, 4-methoxy-2,11-dioxatricyclo(13.2.2.13,7)icosa-1(17),3,5,7(20),15,18-hexaen-10-one, 4-methoxy-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one, CHEMBL2012176 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Is Pains | False |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YQYKEOXNMSLNKG-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 11-O-Methylcorniculatolide A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.553749956521739 |
| Inchi | InChI=1S/C19H20O4/c1-21-17-10-6-15-7-11-19(20)22-12-2-3-14-4-8-16(9-5-14)23-18(17)13-15/h4-6,8-10,13H,2-3,7,11-12H2,1H3 |
| Smiles | COC1=C2C=C(CCC(=O)OCCCC3=CC=C(O2)C=C3)C=C1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aegiceras Corniculatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Xylocarpus Granatum (Plant) Rel Props:Source_db:cmaup_ingredients