(3Z)-8a-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-5,6,7,8b-tetrahydro-3aH-indeno[1,2-b]furan-2-one
PubChem CID: 131753126
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| Topological Polar Surface Area | 82.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | FIKOOQXJBAJJSE-LCYFTJDESA-N |
| Rotatable Bond Count | 2.0 |
| Substituent Name | Gamma butyrolactone, 2-furanone, Vinylogous ester, Alpha,beta-unsaturated carboxylic ester, Enoate ester, Tertiary alcohol, Oxolane, Dihydrofuran, Cyclic alcohol, Carboxylic acid ester, Oxacycle, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Acetal, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic heteropolycyclic compound |
| Synonyms | Alectrol |
| Heavy Atom Count | 25.0 |
| Compound Name | (3Z)-8a-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-5,6,7,8b-tetrahydro-3aH-indeno[1,2-b]furan-2-one |
| Kingdom | Organic compounds |
| Description | Isolated from the roots of Vigna unguiculata (genuine host plant for Alectra subspecies) Strigolactones are plant hormones that have been implicated in inhibition of shoot branching. Strigolactones are carotenoid-derived and trigger germination of parasitic plant seeds (for example striga from which they gained their name) and stimulate symbiotic mycorrhizal fungi. Strigolactones contain a labile ether bond that is easily hydrolysed in the rhizosphere meaning that there is a large concentration gradient between areas near the root and those further away. Alectrol is found in pulses and cowpea. |
| Exact Mass | 346.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.142 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 743.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 346.4 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z)-8a-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-5,6,7,8b-tetrahydro-3aH-indeno[1,2-b]furan-2-one |
| Total Atom Stereocenter Count | 4.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 1.0 |
| Class | Lactones |
| Inchi | InChI=1S/C19H22O6/c1-10-7-14(24-16(10)20)23-9-13-12-8-11-5-4-6-18(2,3)19(11,22)15(12)25-17(13)21/h7-9,12,14-15,22H,4-6H2,1-3H3/b13-9- |
| Smiles | CC1=CC(OC1=O)O/C=C\2/C3C=C4CCCC(C4(C3OC2=O)O)(C)C |
| Xlogp | 2.0 |
| Superclass | Organoheterocyclic compounds |
| Defined Bond Stereocenter Count | 1.0 |
| Subclass | Gamma butyrolactones |
| Taxonomy Direct Parent | Gamma butyrolactones |
| Molecular Formula | C19H22O6 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Unguiculata (Plant) Rel Props:Source_db:fooddb_chem_all