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Poricoic acid A

CAT: 1410-M21480-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M21480-01Size:5 mg
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Description
Poricoic acid A is a natural product with antitumor activity. It also enhances melatonin inhibition of AKI-to-CKD transition by regulating the Gas6/AxlNFκB/Nrf2 axis.
CAS Number
137551-38-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
498.7
Molecular Formula
C31H46O5
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Poricoic Acid A

Poricoic acid A is a secondary alcohol, a dicarboxylic acid and a tricyclic triterpenoid. It has a role as a fungal metabolite.

CAS Number137551-38-3
PubChem CID5471851
IUPAC Name(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
Molecular FormulaC31H46O5
Molecular Weight498.7
XLogP6.4
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity1000
SMILES
CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O
InChI
InChI=1S/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h12-13,18,21-22,25,27,32H,3,5,9-11,14-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
InChIKey
KVAQLXUMUVEKGR-SMFZDKLCSA-N
Chemical Structure
2D Structure
2D structure of Poricoic Acid A
CAS: 137551-38-3
CID: 5471851
Formula: C31H46O5
MW: 498.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.7
XLogP36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass498.33452456
Monoisotopic Mass498.33452456
Topological Polar Surface Area94.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity1000
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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Alternative Products

CatalogName
MBS5759002Poricoic acid A
HY-N11656Poricoic acid H
HY-N9527-01Poricoic acid BM
TBZ2852Poricoic acid B
TBW00284Poricoic acid AM
TN4817Poricoic acid AE
371846Poricoic acid A discontinued
583060Poricoic acid G

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