4,18-Dihydroxy-2-oxatricyclo[13.3.1.13,7]icosa-1(18),3,5,7(20),15(19),16-hexaen-10-one
PubChem CID: 11404174
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 397.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,18-dihydroxy-2-oxatricyclo[13.3.1.13,7]icosa-1(18),3,5,7(20),15(19),16-hexaen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADRKSMCXQSKHFP-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.763 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.491 |
| Compound Name | 4,18-Dihydroxy-2-oxatricyclo[13.3.1.13,7]icosa-1(18),3,5,7(20),15(19),16-hexaen-10-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| 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 | -4.437049956521738 |
| Inchi | InChI=1S/C19H20O4/c20-15-4-2-1-3-13-6-9-16(21)18(11-13)23-19-12-14(5-8-15)7-10-17(19)22/h6-7,9-12,21-22H,1-5,8H2 |
| Smiles | C1CCC2=CC(=C(C=C2)O)OC3=C(C=CC(=C3)CCC(=O)C1)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Engelhardia Roxburghiana (Plant) Rel Props:Source_db:cmaup_ingredients