(2R)-4,8-dihydroxy-9-methoxy-2,3,3-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one
PubChem CID: 163035098
Connections displayed (default: 10).
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| Topological Polar Surface Area | 85.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 698.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-4,8-dihydroxy-9-methoxy-2,3,3-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C24H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NHUUFIXWOHZWLZ-GFCCVEGCSA-N |
| Fcsp3 | 0.375 |
| Logs | -4.113 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.305 |
| Compound Name | (2R)-4,8-dihydroxy-9-methoxy-2,3,3-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 410.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.6650225333333335 |
| Inchi | InChI=1S/C24H26O6/c1-11(2)7-8-13-9-14-20(26)17-15(30-22(14)23(28-6)19(13)25)10-16-18(21(17)27)24(4,5)12(3)29-16/h7,9-10,12,25,27H,8H2,1-6H3/t12-/m1/s1 |
| Smiles | C[C@@H]1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C(C(=C4)CC=C(C)C)O)OC)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Litsea Pungens (Plant) Rel Props:Source_db:cmaup_ingredients