Compound Summary
Kolaflavanone
Compound Information
Kolaflavanone
Compound Name: | Kolaflavanone |
Compound CID: | 155169 |
Synonyms: | Kolaflavanone Kolaviron 68705-66-8 (3,8-Bi-4H-1-benzopyran)-4,4-dione, 2,2,3,3-tetrahydro-3,5,5,7,7-pentahydroxy-2-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-, (2S,2R,3R,3R)- 97560-11-7 More... |
Iupac Name: | (2R,3R)-8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
InChI: | InChI=1S/C31H24O12/c1-41-20-7-4-13(8-16(20)34)30-28(40)27(39)24-19(37)11-18(36)23(31(24)43-30)25-26(38)22-17(35)9-15(33)10-21(22)42-29(25)12-2-5-14(32)6-3-12/h2-11,25,28-30,32-37,40H,1H3/t25-,28-,29+,30+/m0/s1 |
InChIKey: | GJWXCPDVDRIBKP-CNTBMXMRSA-N |
Canonical Smiles: | COC1=C(C=C(C=C1)C2C(C(=O)C3=C(C=C(C(=C3O2)C4C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)O |
Isomeric Smiles: | COC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C(=C3O2)[C@@H]4[C@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)O |
Molecular Weight: | 588.5 |
Molecular Formula: | C31H24O12 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Kolaflavanone
Molecular Weight: | 588.5 |
Molecular Formula: | C31H24O12 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 43 |
Complexity: | 1020 |
Synonyms
Kolaflavanone
| Kolaflavanone | Kolaflavanone |
|---|---|
Kolaflavanone |
Kolaviron |
68705-66-8 |
(3,8-Bi-4H-1-benzopyran)-4,4-dione, 2,2,3,3-tetrahydro-3,5,5,7,7-pentahydroxy-2-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-, (2S,2R,3R,3R)- |
97560-11-7 |
UNII-VY4E467596 |
SCHEMBL4742819 |
CHEBI:28521 |
DTXSID80243039 |
LMPK12040002 |
VY4E467596 |
(2R,3R)-8-(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
(2S,2R,3R,3R)-3,5,5,7,7-pentahydroxy-2-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-2,2,3,3-tetrahydro-4H,4H-3,8-bichromene-4,4-dione |
C09761 |
Q27103752 |
UNII-PX7M0YV62G component GJWXCPDVDRIBKP-CNTBMXMRSA-N |
(2S,2R,3R,3R)-2,2,3,3-tetrahydro-3,5,5,7,7-pentahydroxy-2-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-(3,8-bi-4H-1-benzopyran)-4,4-dione" |
(2S,2R,3R,3R)-3,5,5,7,7-Pentahydroxy-2-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-3,8-bichroman-4,4-dione" |
Experimental Data
Kolaflavanone
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200.000000000000000 | mg/kg | 38.200000000000000 | S | Harwich | 29482730 | Active | ||||||
| Drosophila melanogaster | 400.000000000000000 | mg/kg | 2.900000000000000 | S | Harwich | 29482730 | Active | ||||||
| Drosophila melanogaster | 300.000000000000000 | mg/kg | 11.800000000000000 | S | Harwich | 29482730 | Active | ||||||
| Drosophila melanogaster | 100.000000000000000 | mg/kg | 20.600000000000000 | S | Harwich | 29482730 | Active |
Experimental Data Visualization
Kolaflavanone
Statistics Data
Kolaflavanone
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | 38.200000000000000 | 1 | 4 |
Statistics Data Visualization
Kolaflavanone
