Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,8,9,11,12,17-hexol
PubChem CID: 71346180
Connections displayed (default: 10).
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| Compound Synonyms | 148335-60-8, Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,8,9,11,12,17-hexol, CHEMBL3617766, DTXSID30772349 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,8,9,11,12,17-hexol |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C19H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OEEVVKOBSPJYJH-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -3.243 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.62 |
| Compound Name | Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,8,9,11,12,17-hexol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 346.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9853498000000003 |
| Inchi | InChI=1S/C19H22O6/c20-14-3-1-10-5-12(14)13-6-11(2-4-15(13)21)8-17(23)19(25)9-18(24)16(22)7-10/h1-6,16-25H,7-9H2 |
| Smiles | C1C(C(CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CC(C1O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients