(2E)-2-Hexa-2,4-Diynylidene-1,6-Dioxaspiro[4.4]Nona-3,7-Dien-9-Ol
Representations & DB's id
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| ChEBI: | CHEBI:7038 | |
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| ChEMBL: | CHEMBL1968944 | |
| PubChem: | 5281153 | |
| IUPAC: | (2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-ol | |
| Standard InChI: | InChI=1S/C13H10O3/c1-2-3-4-5-6-11-7-9-13(16-11)12(14)8-10-15-13/h6-10,12,14H,1H3/b11-6+ | |
| Standard InChI Key: | FZRGCIPZQGXDCM-IZZDOVSWSA-N | |
| SMILES: | CC#CC#C/C=C/1C=CC2(O1)OC=CC2O | |
Molecular propeties
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| AlogP: | 1.08 | |
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| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 214.06 | |
| Topological polar surface area: | 38.7 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.231 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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