Compound Summary
Compound Information
(+)-Hydrastine
Compound Name: | (+)-Hydrastine |
Compound CID: | 656743 |
Synonyms: | (+)-Hydrastine 29617-43-4 (+)-beta-Hydrastine Methylcorftaline (1S,9R)-beta-Hydrastine More... |
Iupac Name: | (3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one |
InChI: | InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1 |
InChIKey: | JZUTXVTYJDCMDU-RBUKOAKNSA-N |
Canonical Smiles: | CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 |
Isomeric Smiles: | CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 |
Molecular Weight: | 383.4 |
Molecular Formula: | C21H21NO6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(+)-Hydrastine
Molecular Weight: | 383.4 |
Molecular Formula: | C21H21NO6 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 28 |
Complexity: | 601 |
Synonyms
(+)-Hydrastine
| (+)-Hydrastine | (+)-Hydrastine |
|---|---|
(+)-Hydrastine |
29617-43-4 |
(+)-beta-Hydrastine |
Methylcorftaline |
(1S,9R)-beta-Hydrastine |
HYDRASTINE |
CHEBI:33990 |
(1S,9R)-(+)-beta-Hydrastine |
(3R)-6,7-dimethoxy-3-(5S)-6-methyl-7,8-dihydro-5H-1,3dioxolo4,5-gisoquinolin-5-yl-3H-2-benzofuran-1-one |
(+)-|A-Hydrastine |
NCGC00017332-05 |
118-08-1 |
DSSTox_CID_25611 |
DSSTox_RID_81002 |
DSSTox_GSID_45611 |
D-Beta-Hydrastine |
Beta-(-)-Hydrastine |
CAS-29617-43-4 |
SR-01000075622 |
1S,9R-HYDRASTINE |
(-)--HYDRASTINE |
Biomol-NT_000264 |
Lopac0_000606 |
MLS002153416 |
BPBio1_000991 |
SCHEMBL7813649 |
CHEMBL1441048 |
DTXSID1045611 |
HMS2233C21 |
HMS3261J14 |
Tox21_110815 |
Tox21_500606 |
(+)-beta-Hydrastine 1(S),9(R) |
STL564712 |
ZINC19703148 |
AKOS024282590 |
Tox21_110815_1 |
CCG-204695 |
LP00606 |
MCULE-8357981766 |
SDCCGSBI-0050588.P002 |
NCGC00017326-05 |
NCGC00017332-02 |
NCGC00017332-06 |
NCGC00017332-07 |
NCGC00017332-08 |
NCGC00261291-01 |
SMR001230792 |
ST057177 |
EU-0100606 |
H 8645 |
SR-01000075622-1 |
SR-01000075622-3 |
SR-01000075622-8 |
SR-01000075622-9 |
BRD-K95963688-001-01-7 |
Q27115728 |
SR-01000075622-10 |
(3R)-3-((5S)-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxoleno4,5-gisoquinolin-5- yl))-6,7-dimethoxy-3-hydroisobenzofuran-1-one |
(3R)-6,7-dimethoxy-3-(5S)-6-methyl-5,6,7,8-tetrahydro1,3dioxolo4,5-gisoquinolin-5-yl-2-benzofuran-1(3H)-one |
(R)-6,7-Dimethoxy-3beta-(5S,6S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo4,5-gisoquinolin-5-ylisobenzofuran-1(3H)-one |
Experimental Data
(+)-Hydrastine
| 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 | 33 | umol/L | 11 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
(+)-Hydrastine
Statistics Data
(+)-Hydrastine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 11 | 1 | 1 |
Statistics Data Visualization
(+)-Hydrastine
