Heraclenin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL500034 | |
| PubChem: | 458010 | |
| IUPAC: | 9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one | |
| Standard InChI: | InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1 | |
| Standard InChI Key: | CTJZWFCPUDPLME-LLVKDONJSA-N | |
| SMILES: | O=c1ccc2c(o1)c(OC[C@H]1OC1(C)C)c1c(c2)cco1 | |
Molecular propeties
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| AlogP: | 3.1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 286.08 | |
| Topological polar surface area: | 61.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.312 | |
| Number of carbons: | 16 | |