Compound Summary
Compound Information
Resiniferatoxin
Compound Name: | Resiniferatoxin |
Compound CID: | 5702546 |
Synonyms: | Resiniferatoxin 57444-62-9 RTX UNII-A5O6P1UL4I A5O6P1UL4I More... |
Iupac Name: | [(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate |
InChI: | InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1 |
InChIKey: | DSDNAKHZNJAGHN-MXTYGGKSSA-N |
Canonical Smiles: | CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C |
Isomeric Smiles: | C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)O[C@](O3)(O2)CC7=CC=CC=C7)C(=C)C |
Molecular Weight: | 628.7 |
Molecular Formula: | C37H40O9 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Resiniferatoxin
Molecular Weight: | 628.7 |
Molecular Formula: | C37H40O9 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 46 |
Complexity: | 1330 |
Synonyms
Resiniferatoxin
| Resiniferatoxin | Resiniferatoxin |
|---|---|
Resiniferatoxin |
57444-62-9 |
RTX |
UNII-A5O6P1UL4I |
A5O6P1UL4I |
Reciniferatoxin |
4-hydroxy-3-methoxy-benzeneacetic acid, (2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno5,4-e-1,3-benzodioxol-5-ylmethyl ester |
3Hresiniferatoxin |
CHEMBL448382 |
resinferatoxin |
(+)-resiniferatoxin |
Resiniferatoxin(RTX) |
Resiniferatoxin USAN |
6,7-Deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)daphnetoxin 20-(3-hydroxy-5-methoxybenzeneacetate) |
CHEMBL17976 |
CHEBI:8809 |
GTPL2491 |
GTPL4091 |
SCHEMBL17792942 |
DTXSID00894764 |
ZINC4262463 |
BDBM50052442 |
WHO 11485 |
AKOS024456409 |
DB06515 |
NCGC00162396-01 |
(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno4,5:5,6benzo1,2-d1,3dioxol-5-ylmethyl (4-hydroxy-3-methoxyphenyl)acetate |
Benzeneacetic acid, 4-hydroxy-3-methoxy-, ((2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno(5,4-e)-1,3-benzodioxol-5-yl)methyl ester |
Q3277888 |
(4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3aR,5R,5aR,8bR,11aR)-3b-benzyloxy-11a-hydroxy-5a-isopropenyl-2,4-dimethyl-1-oxo-1,3a,3b,4,5,5a,8a,8b,11,11a-decahydro-6,8-dioxa-indeno5,4-eazulen-10-ylmethyl ester |
(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo11.4.1.01,10.02,6.011,15octadeca-3,8-dien-8-ylmethyl 2-(4-hydroxy-3-methoxyphenyl)acetate |
(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-3bH-2,9b-epoxyazuleno4,5:5,6benzo1,2-d1,3dioxol-5-ylmethyl (4-hydroxy-3-methoxyphenyl)acetate |
13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-(1R,2S,6R,10S,11R,13S,15R,17R)-12,14,18-trioxapentacyclo11.4.1.01,10.02,6.011,15octadeca-3,8-dien-8-ylmethyl 2-(4-hydroxy-3-methoxyphenyl)acetate |
13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-(1R,2S,6R,10S,11R,15R,17R)-12,14,18-trioxapentacyclo11.4.1.01,10.02,6.011,15octadeca-3,8-dien-8-ylmethyl 2-(4-hydroxy-3-methoxyphenyl)acetate |
13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-(2S,6R,10S,11R,15R,17R)-12,14,18-trioxapentacyclo11.4.1.01,10.02,6.011,15octadeca-3,8-dien-8-ylmethyl 2-(4-hydroxy-3-methoxyphenyl)acetate |
4-Hydroxy-3-methoxy-(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR) -3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno5,4-e-1,3-benzodioxol-5-ylbenzeneacetate |
Experimental Data
Resiniferatoxin
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Brachionus manjavacas | 0.5 | umol/L | -40 | S | 27484416 | Inactive | |||||||
| Brachionus manjavacas | 1 | umol/L | -56 | S | 27484416 | Inactive |
Experimental Data Visualization
Resiniferatoxin
Statistics Data
Resiniferatoxin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Brachionus manjavacas | -40 | 1 | 2 |
Statistics Data Visualization
Resiniferatoxin
