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Dehydroabietinol

CAT: 0804-HY-N3702-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N3702-01Size:1 mg
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Description
Dehydroabietinol is an abietane diterpenoid. Dehydroabietinol has kinase inhibition activity for spleen tyrosine kinase (SYK) with an IC50 value of 46.4 μM. Dehydroabietinol can be used for the research of immune-mediated disease[1].
CAS Number
3772-55-2
UNSPSC
12352005
Target
Syk
Type
Natural Products
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/dehydroabietinol.html
Solubility
10 mM in DMSO
Smiles
C[C@@]12C3=CC=C(C(C)C)C=C3CC[C@@]1([H])[C@@](C)(CCC2)CO
Molecular Formula
C20H30O
Molecular Weight
286.45
References & Citations
[1]Jun-Bo Gao, et al. Isolation, Characterization, and Structure-Activity Relationship Analysis of Abietane Diterpenoids from Callicarpa bodinieri as Spleen Tyrosine Kinase Inhibitors. J Nat Prod. 2018 Apr 27;81 (4) :998-1006.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Dehydroabietyl alcohol

Dehydroabietadienol is an abietane diterpenoid and a carbotricyclic compound.

CAS Number3772-55-2
PubChem CID15586718
IUPAC Name[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol
Molecular FormulaC20H30O
Molecular Weight286.5
XLogP5.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity376
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CO)C
InChI
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1
InChIKey
WSKGRAGZAQRSED-SLFFLAALSA-N
Chemical Structure
2D Structure
2D structure of Dehydroabietyl alcohol
CAS: 3772-55-2
CID: 15586718
Formula: C20H30O
MW: 286.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass286.229665576
Monoisotopic Mass286.229665576
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
DAA77255-01Dehydroabietinol

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