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Hericene A

CAT: 0931-TN8578-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8578-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
157207-54-0
Target
Apoptosis
Related Pathways
Apoptosis
Purity
0.9937
Bioactivity
Hericene A (Hericium erinaceus A) is a natural product that inhibits the viability of HCT116 cells and can be used in biochemical experiments and drug synthesis.
Smiles
C(OC(CCCCCCCCCCCCCCC)=O)C1=C(C=O)C(O)=C(C/C=C(/CCC=C(C)C)\C)C(OC)=C1
Molecular Formula
C35H56O5
Molecular Weight
556.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl hexadecanoate

Hericene A is a monoterpenoid.

CAS Number157207-54-0
PubChem CID50925563
IUPAC Name[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoate
Molecular FormulaC35H56O5
Molecular Weight556.8
XLogP12.4
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count24
Heavy Atom Count40
Formal Charge0
Complexity723
SMILES
CCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C(=C1C=O)O)C/C=C(\C)/CCC=C(C)C)OC
InChI
InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+
InChIKey
PLUINHYLFTYIKB-BYNJWEBRSA-N
Chemical Structure
2D Structure
2D structure of (4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl hexadecanoate
CAS: 157207-54-0
CID: 50925563
Formula: C35H56O5
MW: 556.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.8
XLogP312.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count24
Exact Mass556.41277488
Monoisotopic Mass556.41277488
Topological Polar Surface Area72.8 Ų
Heavy Atom Count40
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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