Compound Summary
rottlerin
Compound Information
rottlerin
Compound Name: | rottlerin |
Compound CID: | 5281847 |
Synonyms: | rottlerin Mallotoxin 82-08-6 Kamalin UNII-E29LP3ZMUH More... |
Iupac Name: | (E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one |
InChI: | InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+ |
InChIKey: | DEZFNHCVIZBHBI-ZHACJKMWSA-N |
Canonical Smiles: | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C=CC4=CC=CC=C4)O)O |
Isomeric Smiles: | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)/C=C/C4=CC=CC=C4)O)O |
Molecular Weight: | 516.5 |
Molecular Formula: | C30H28O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
rottlerin
Molecular Weight: | 516.5 |
Molecular Formula: | C30H28O8 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 38 |
Complexity: | 921 |
Synonyms
rottlerin
| rottlerin | rottlerin |
|---|---|
rottlerin |
Mallotoxin |
82-08-6 |
Kamalin |
UNII-E29LP3ZMUH |
NSC 56346 |
NSC 94525 |
E29LP3ZMUH |
CHEMBL34241 |
CHEBI:8899 |
(E)-1-(6-((3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl)-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one |
NSC56346 |
NSC94525 |
MFCD00017361 |
1-6-(3-Acetyl-2,4,6-trihydroxy-5-methyl-benzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl-3-phenyl-propenone |
1-6-(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl-5,7-dihydroxy-2,2-dimethylchromen-8-yl-3-phenylprop-2-en-1-one |
(E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)-3-phenylprop-2-en-1-one |
SR-01000076106 |
1-6-(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl-3-phenyl-2-propen-1-one |
EINECS 201-395-4 |
BRN 0070757 |
BMK1-F10 |
R5648 (Rottlerin) |
NSC 94525Mallotoxin |
BiomolKI_000058 |
BiomolKI2_000064 |
R 5648 |
Lopac0_001052 |
BSPBio_001080 |
(E)-1-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl-5,7-dihydroxy-2,2-dimethylchromen-8-yl-3-phenylprop-2-en-1-one |
5-18-05-00695 (Beilstein Handbook Reference) |
MLS003370622 |
SCHEMBL148175 |
GTPL2611 |
SCHEMBL1537089 |
BCBcMAP01_000019 |
CHEBI:92065 |
Rottlerin - CAS 82-08-6 |
DTXSID30231502 |
HMS1362F21 |
HMS1792F21 |
HMS1990F21 |
HMS3263C06 |
HMS3403F21 |
ZINC3874886 |
Tox21_501052 |
BDBM50126829 |
CCG-36482 |
LMPK12120428 |
NSC-56346 |
NSC-94525 |
AKOS024282482 |
LP01052 |
SDCCGSBI-0051022.P002 |
IDI1_002135 |
NCGC00025228-02 |
NCGC00025228-03 |
NCGC00025228-04 |
NCGC00025228-05 |
NCGC00025228-06 |
NCGC00025228-07 |
NCGC00025228-08 |
NCGC00025228-09 |
NCGC00025228-10 |
NCGC00025228-11 |
NCGC00025228-12 |
NCGC00025228-19 |
NCGC00261737-01 |
(2E)-1-6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl-3-phenylprop-2-en-1-one |
Acetophenone, 3-((8-cinnamoyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl)-2,4,6-trihydroxy-5-methyl- |
HY-18980 |
SMR000058242 |
ST056358 |
CS-0014823 |
EU-0101052 |
S7862 |
Q7370686 |
SR-01000076106-2 |
SR-01000076106-3 |
SR-01000076106-6 |
BRD-K03816923-001-03-9 |
BRD-K39256324-001-01-5 |
(E)-1-6-(3-acetyl-2,4,6-trihydroxy-5-methyl-phenyl)methyl-5,7-dihydroxy-2,2-dimethyl-chromen-8-yl-3-phenyl-prop-2-en-1-one |
(E)-1-6-(3-Acetyl-2,4,6-trihydroxy-methylphenyl)methyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl-3-phenyl-2-propen-1-one |
1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)-3-phenylprop-2-en-1-one |
3-((8-cinnamoyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl)-2,4,6-trihydroxy-5-methyl-acetophenone" |
3-(8-Cinnamoyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl-2,4,6-trihydroxy-5-methylacetophenone |
3-{8-((2E)-3-phenylprop-2-enoyl)-5,7-dihydroxy-2,2-dimethyl(2H-chromen-6-yl) methyl}-1-acetyl-2,4,6-trihydroxy-5-methylbenzene |
6-(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl)-2,2-dimethyl-8-(3-phenylpropenoyl)-2H-1-benzopyran-5,7-diol |
Experimental Data
rottlerin
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 6.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
rottlerin
Statistics Data
rottlerin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6.000000000000000 | 1 | 1 |
Statistics Data Visualization
rottlerin
