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Ganoderic acid ζ

CAT: 0931-TN4108Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4108Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
294674-09-2
Target
Antifection
Related Pathways
Microbiology/Virology
Bioactivity
The binding affinities of ganoderic acid DM andGanoderic acid ζ (ΔGbind, -16.83 and-10.99 kcal mol-1) are comparable to that of current commercial drug oseltamivir (-23.62 kcal mol-1) ; Ganoderic acid DM is a potential source of anti-influenza ingredient, with novel binding pattern and advantage over oseltamivir, it has steric hindrance on the 150 cavity of N1 protein, and exerts activities across the H274Y and N294S mutations, is the attractive candidates of novel neuraminidase (NA) inhibitors.Ganoderic acid zeta has cytotoxicity in vitro against Meth-A and LLC cell lines.
Smiles
[H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)C[C@H](O)\C=C(/C)C(O)=O
Molecular Formula
C30H42O7
Molecular Weight
514.659
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3beta,23S,24E)-3,23-Dihydroxy-7,11,15-trioxolanosta-8,24-dien-26-oic acid

Ganoderic acid Z is a triterpenoid.

CAS Number294674-09-2
PubChem CID10601916
IUPAC Name(E,4S,6R)-4-hydroxy-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Molecular FormulaC30H42O7
Molecular Weight514.6
XLogP2.8
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity1130
SMILES
C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI
InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-18,21-22,31,34H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+/t15-,17+,18-,21+,22+,28+,29-,30+/m1/s1
InChIKey
PRJBNEAPLDQWLQ-AVCLMWMBSA-N
Chemical Structure
2D Structure
2D structure of (3beta,23S,24E)-3,23-Dihydroxy-7,11,15-trioxolanosta-8,24-dien-26-oic acid
CAS: 294674-09-2
CID: 10601916
Formula: C30H42O7
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass514.29305367
Monoisotopic Mass514.29305367
Topological Polar Surface Area129 Ų
Heavy Atom Count37
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-129153-01Ganoderic acid ζ
AB0195Ganoderic acid A
RG-G025002-01Ganoderic Acid E; Ganoderic Acid F
HY-N9350-01Ganoderic acid ε

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