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Harzianol J

CAT: 0931-TN10682-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10682-01Size:10 mg
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CAS Number
2671032-64-5
Target
NO Synthase
Related Pathways
Immunology/Inflammation
Bioactivity
Harzianol J is a harziane-type diterpene compound isolated from the deep-sea sediment fungus Trichoderma sp. SCSIOW21. It exhibits anti-inflammatory activity, achieving an 81.8% inhibition rate of NO at a concentration of 100 μM, with an IC50 value of 66.7 μM for NO production inhibition. Harzianol J is applicable in anti-inflammatory research.
Smiles
C[C@]1(C)[C@]23[C@]([C@@]4(C)[C@@]([C@H](C)CC2)(C(=O)C4)[H])(C[C@@]1(C(=O)C[C@H]3C)[H])[H]
Molecular Formula
C20H30O2
Molecular Weight
302.451
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Harzianol J

Harzianol J is a ketone.

CAS Number2671032-64-5
PubChem CID156582619
IUPAC Name(1R,4R,5R,8S,9S,11S,14R)-4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadecane-6,12-dione
Molecular FormulaC20H30O2
Molecular Weight302.5
XLogP4
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity562
SMILES
C[C@@H]1CC[C@]23[C@@H](CC(=O)[C@H](C2(C)C)C[C@H]3[C@]4([C@@H]1C(=O)C4)C)C
InChI
InChI=1S/C20H30O2/c1-11-6-7-20-12(2)8-14(21)13(18(20,3)4)9-16(20)19(5)10-15(22)17(11)19/h11-13,16-17H,6-10H2,1-5H3/t11-,12-,13-,16+,17+,19+,20-/m1/s1
InChIKey
LAJFFIPLIOGVIR-PKKSIDJUSA-N
Chemical Structure
2D Structure
2D structure of Harzianol J
CAS: 2671032-64-5
CID: 156582619
Formula: C20H30O2
MW: 302.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass302.224580195
Monoisotopic Mass302.224580195
Topological Polar Surface Area34.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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