(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 |
| Heavy Atom Count | 25.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 743.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| 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 |
| Nih Violation | False |
| Class | Lactones |
| Xlogp | 2.0 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Gamma butyrolactones |
| Molecular Formula | C19H22O6 |
| Inchi Key | FIKOOQXJBAJJSE-LCYFTJDESA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | Alectrol |
| 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 |
| 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 |
| Exact Mass | 346.142 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 346.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 346.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| 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 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Gamma butyrolactones |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Unguiculata (Plant) Rel Props:Source_db:fooddb_chem_all