(3E)-5-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
PubChem CID: 6391814
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| Compound Synonyms | SCHEMBL9983537 |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Description | Constituent of the root of Gossypium hirsutum (cotton) 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. Strigol is found in millet, fats and oils, and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 741.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-5-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 1.3 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene lactones |
| Molecular Formula | C19H22O6 |
| Inchi Key | VOFXXOPWCBSPAA-XYOKQWHBSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Compound Name | (3E)-5-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[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/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,13-14,16,20H,4-5,7H2,1-3H3/b12-8+ |
| Smiles | CC1=CC(OC1=O)O/C=C/2\C3CC4=C(C3OC2=O)C(CCC4O)(C)C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Strigolactones |
- 1. Outgoing r'ship
FOUND_INto/from Panicum Miliaceum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all