(8Z)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),8,14(18),15-heptaene-3,15-diol
PubChem CID: 89856897
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| Compound Synonyms | SCHEMBL15326614 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8Z)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),8,14(18),15-heptaene-3,15-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C21H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JKMZSGSRYKMBOO-XQRVVYSFSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.864 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.507 |
| Compound Name | (8Z)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),8,14(18),15-heptaene-3,15-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 340.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.474997800000001 |
| Inchi | InChI=1S/C21H24O4/c1-24-20-17-13-15(19(23)21(20)25-2)9-7-5-3-4-6-8-14-10-11-18(22)16(17)12-14/h4,6,10-13,22-23H,3,5,7-9H2,1-2H3/b6-4- |
| Smiles | COC1=C2C=C(CCCC/C=C\CC3=CC2=C(C=C3)O)C(=C1OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morella Rubra (Plant) Rel Props:Source_db:cmaup_ingredients