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Antcin A

CAT: 0931-TN7099-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7099-05Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
163597-24-8
Target
NOD-like Receptor (NLR), NOD, Pyroptosis
Related Pathways
Apoptosis, Immunology/Inflammation, NF-κB
Purity
0.9643
Bioactivity
Antcin A is a steroid-like phytochemical isolated from the fruiting bodies of a precious edible mushroom Antrodia cinnamomea with strong anti-inflammatory and anti-tumor effects.
Smiles
C[C@@]12C3=C([C@]4([C@](C)(CC3=O)[C@@]([C@@H](CCC(C(C(O)=O)C)=C)C)(CC4)[H])[H])CC[C@]1([C@H](C)C(=O)CC2)[H]
Molecular Formula
C29H42O4
Molecular Weight
454.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antcin A

antcin A has been reported in Antrodia cinnamomea and Taiwanofungus camphoratus with data available.

CAS Number163597-24-8
PubChem CID10004121
IUPAC Name(6R)-2-methyl-3-methylidene-6-[(4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
Molecular FormulaC29H42O4
Molecular Weight454.6
XLogP6.2
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity913
SMILES
C[C@H]1[C@@H]2CCC3=C([C@]2(CCC1=O)C)C(=O)C[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C(=O)O)C
InChI
InChI=1S/C29H42O4/c1-16(18(3)27(32)33)7-8-17(2)21-11-12-23-20-9-10-22-19(4)24(30)13-14-28(22,5)26(20)25(31)15-29(21,23)6/h17-19,21-23H,1,7-15H2,2-6H3,(H,32,33)/t17-,18?,19+,21-,22+,23+,28+,29-/m1/s1
InChIKey
WTSUWKBKPMVEBO-QMHPZZQYSA-N
Chemical Structure
2D Structure
2D structure of Antcin A
CAS: 163597-24-8
CID: 10004121
Formula: C29H42O4
MW: 454.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.6
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass454.30830982
Monoisotopic Mass454.30830982
Topological Polar Surface Area71.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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