Compound Summary
Compound Information
Arctiin
Compound Name: | Arctiin |
Compound CID: | 100528 |
Synonyms: | Arctiin 20362-31-6 Arctigenin-4-glucoside NSC 315527 UNII-TM5RQ949K7 More... |
Iupac Name: | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one |
InChI: | InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1 |
InChIKey: | XOJVHLIYNSOZOO-SWOBOCGESA-N |
Canonical Smiles: | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC |
Isomeric Smiles: | COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC |
Molecular Weight: | 534.6 |
Molecular Formula: | C27H34O11 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Arctiin
Molecular Weight: | 534.6 |
Molecular Formula: | C27H34O11 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 11 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 38 |
Complexity: | 753 |
Synonyms
Arctiin
| Arctiin | Arctiin |
|---|---|
Arctiin |
20362-31-6 |
Arctigenin-4-glucoside |
NSC 315527 |
UNII-TM5RQ949K7 |
CHEBI:80793 |
TM5RQ949K7 |
MFCD00870630 |
(3R,4R)-4-(3,4-dimethoxyphenyl)methyl-3-3-methoxy-4-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyphenylmethyloxolan-2-one |
(3R,4R)-4-(3,4-dimethoxyphenyl)methyl-3-{3-methoxy-4-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyphenylmethyl}oxolan-2-one |
(-)-Arctiin |
Arctiin(NSC 315527) |
Arctium |
arctigenin 4-O-D-glucoside |
Arctii |
CCRIS 8412 |
Arctiin,(S) |
Arctiin (8CI) |
SCHEMBL381867 |
CHEMBL388452 |
MEGxp0_000527 |
ACon1_001261 |
EBD15003 |
BDBM50524082 |
s4738 |
ZINC28820378 |
AKOS015895721 |
Arctiin, >=95% (LC/MS-ELSD) |
AM84703 |
CCG-269936 |
MCULE-8208548184 |
NCGC00169522-01 |
NCGC00169522-02 |
AS-18734 |
AB0028964 |
N1627 |
X1085 |
C16915 |
362A316 |
Q-100251 |
Q4787606 |
BRD-K02568760-001-01-7 |
(3R,4R)-4-(3,4-dimethoxybenzyl)-3-(3-methoxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)benzyl)dihydrofuran-2(3H)-one |
(3R,4R)-4-(3,4-dimethoxyphenyl)methyl-3-3-methoxy-4-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxy-phenylmethyltetrahydrofuran-2-one |
(3R,4R)-4-(3,4-dimethoxyphenyl)methyl-3-3-methoxy-4-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyphenylmethyloxolan-2-one |
2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)- (9CI) |
2(3H)-Furanone, 4-(3,4-dimethoxyphenyl)methyl-3-4-(b-D-glucopyranosyloxy)-3-methoxyphenylmethyldihydro-, (3R,4R)- |
2(3H)-Furanone, 4-(3,4-dimethoxyphenyl)methyl-3-4-(beta-D-glucopyranosyloxy)-3-methoxyphenylmethyldihydro-, (3R,4R)- |
NCGC00169522-02_C27H34O11_4-{(3R,4R)-4-(3,4-Dimethoxybenzyl)-2-oxotetrahydro-3-furanylmethyl}-2-methoxyphenyl beta-D-glucopyranoside |
Experimental Data
Arctiin
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 50 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 10 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 100 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 200 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 10 | umol/L | 8.9 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 100 | umol/L | 15.3 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 10 | umol/L | 11.36 | 12.37 | 8.9 | S | N2 | 26141518 | Active | ||||
| Caenorhabditis elegans | 100 | umol/L | 11.36 | 13.1 | 15.3 | S | N2 | 26141518 | Active |
Experimental Data Visualization
Arctiin
Statistics Data
Arctiin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 15.3 | 2 | 8 |
Statistics Data Visualization
Arctiin
