(8Z)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one
PubChem CID: 101258447
Connections displayed (default: 10).
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| Topological Polar Surface Area | 35.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8Z)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C20H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QOGTVHQGZNQSJZ-RQOWECAXSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.793 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.251 |
| Compound Name | (8Z)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.7117243565217395 |
| Inchi | InChI=1S/C20H20O3/c1-22-19-13-9-16-4-2-3-5-17(21)10-6-15-7-11-18(12-8-15)23-20(19)14-16/h2,4,7-9,11-14H,3,5-6,10H2,1H3/b4-2- |
| Smiles | COC1=C2C=C(/C=C\CCC(=O)CCC3=CC=C(O2)C=C3)C=C1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Ovalifoliolata (Plant) Rel Props:Source_db:cmaup_ingredients