(8R)-3-(6-methoxy-1,3-benzodioxol-5-yl)-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one
PubChem CID: 163019647
Connections displayed (default: 10).
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| Topological Polar Surface Area | 63.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 687.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8R)-3-(6-methoxy-1,3-benzodioxol-5-yl)-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C22H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXUMBHWIVWENNM-QGZVFWFLSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -6.618 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.283 |
| Compound Name | (8R)-3-(6-methoxy-1,3-benzodioxol-5-yl)-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 378.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.603213142857143 |
| Inchi | InChI=1S/C22H18O6/c1-11(2)17-7-14-16(28-17)5-4-12-21(23)15(9-25-22(12)14)13-6-19-20(27-10-26-19)8-18(13)24-3/h4-6,8-9,17H,1,7,10H2,2-3H3/t17-/m1/s1 |
| Smiles | CC(=C)[C@H]1CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4OC)OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Buxus Natalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cassytha Melantha (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Source_db:cmaup_ingredients