Compound Summary
DEHYDROABIETIC ACID
Compound Information
DEHYDROABIETIC ACID
Compound Name: | DEHYDROABIETIC ACID |
Compound CID: | 94391 |
Synonyms: | DEHYDROABIETIC ACID Dehydroabietate 1740-19-8 Abieta-8,11,13-trien-18-oic acid Abietic acid, dehydro- More... |
Iupac Name: | (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
InChI: | InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 |
InChIKey: | NFWKVWVWBFBAOV-MISYRCLQSA-N |
Canonical Smiles: | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C |
Isomeric Smiles: | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C |
Molecular Weight: | 300.4 |
Molecular Formula: | C20H28O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
DEHYDROABIETIC ACID
Molecular Weight: | 300.4 |
Molecular Formula: | C20H28O2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 22 |
Complexity: | 443 |
Synonyms
DEHYDROABIETIC ACID
| DEHYDROABIETIC ACID | DEHYDROABIETIC ACID |
|---|---|
DEHYDROABIETIC ACID |
Dehydroabietate |
1740-19-8 |
Abieta-8,11,13-trien-18-oic acid |
Abietic acid, dehydro- |
(-)-Dehydroabietic acid |
13-Isopropylpodocarpa-8,11,13-trien-15-oic acid |
UNII-0S5XP6S3AU |
NSC 2952 |
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- |
CHEBI:29571 |
0S5XP6S3AU |
NSC2952 |
Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl- |
abieta-8(14),9(11),12-trien-18-oic acid |
EINECS 217-102-8 |
BRN 2059290 |
MFCD09839012 |
Dehydroabietinsaeure |
RESIGRAL 52 |
Isopropyl podocarpa-8,11,13-trien-15-oic acid |
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4abeta,10aalpha))- |
4-09-00-02389 (Beilstein Handbook Reference) |
CHEMBL12850 |
SCHEMBL222078 |
DTXSID8022163 |
Abieta-8,13-trien-18-oic acid |
AMY22483 |
HY-N6869 |
NSC-2952 |
ZINC4023706 |
BDBM50143600 |
AKOS015917291 |
CS-W012130 |
LMPR0104050005 |
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
(1R-(1alpha,4Abeta,10aalpha))-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid |
AC-34629 |
Dehydroabietic acid, >=95% (LC/MS-ELSD) |
FT-0633812 |
S3226 |
13-Isopropylpodocarpa-8,13-trien-15-oic acid |
A881721 |
Podocarpa-8,13-trien-15-oic acid, 13-isopropyl- |
W-107855 |
Q27110153 |
1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid |
1,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid |
1-Phenanthrenecarboxylic acid,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1R-(1.alpha.,4a.beta.,10a.alpha.)- |
6980-63-8 |
rel-(1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid |
Experimental Data
DEHYDROABIETIC ACID
| 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 | 10.000000000000000 | umol/L | 15.600000000000000 | 15.100000000000000 | -0.030000000000000 | 24.000000000000000 | 24.000000000000000 | 0.000000000000000 | S | N2 | 25976661 | Inactive | |
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 15.600000000000000 | 18.000000000000000 | 0.150000000000000 | 24.000000000000000 | 28.000000000000000 | 0.170000000000000 | S | N2 | 25976661 | Active | |
| Caenorhabditis elegans | 1.000000000000000 | umol/L | 15.600000000000000 | 17.200000000000000 | 0.100000000000000 | 24.000000000000000 | 28.000000000000000 | 0.170000000000000 | S | N2 | 25976661 | Active | |
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 15.600000000000000 | 16.300000000000000 | 0.040000000000000 | 24.000000000000000 | 26.000000000000000 | 0.080000000000000 | NS | N2 | 25976661 | Inactive |
Experimental Data Visualization
DEHYDROABIETIC ACID
Statistics Data
DEHYDROABIETIC ACID
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.150000000000000 | 0.170000000000000 | 1 | 4 |
Statistics Data Visualization
DEHYDROABIETIC ACID
