10-Methoxy-6,6,14,14-tetramethyl-7-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,8,10,12,15(20),16,18-nonaene-16,17-diol
PubChem CID: 16080292
Connections displayed (default: 10).
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 776.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-methoxy-6,6,14,14-tetramethyl-7-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,8,10,12,15(20),16,18-nonaene-16,17-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C25H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MSVFTKIPPCKPJT-UHFFFAOYSA-N |
| Fcsp3 | 0.28 |
| Logs | -4.189 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.991 |
| Compound Name | 10-Methoxy-6,6,14,14-tetramethyl-7-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,8,10,12,15(20),16,18-nonaene-16,17-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 388.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.632377496551724 |
| Inchi | InChI=1S/C25H24O4/c1-24(2)9-8-14-20(29-24)12-19(28-5)16-11-17-15(21(14)16)10-13-6-7-18(26)23(27)22(13)25(17,3)4/h6-12,26-27H,1-5H3 |
| Smiles | CC1(C=CC2=C3C4=CC5=C(C(=C(C=C5)O)O)C(C4=CC3=C(C=C2O1)OC)(C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Sarrachoides (Plant) Rel Props:Source_db:cmaup_ingredients