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Hericenone B

CAT: 0013-GTR19248491-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248491-01Size:25 mg
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Description
Hericenone B, a bioactive small molecule from Hericium erinaceus, demonstrates cytotoxic activity against HeLa cells in vitro and selectively inhibits collagen-induced platelet aggregation. It is a valuable research tool for investigating potential antitumor and antithrombotic agents.
CAS Number
1416052-89-5
Field of Research
Signal Transduction
Smiles
OC1=C2C (C (=O) N (CCC3=CC=CC=C3) C2) =CC (OC) =C1C/C=C (/CC (C=C (C) C) =O) \C
Molecular Formula
C27H31NO4
Molecular Weight
433.539
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-4-hydroxy-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
CAS Number1416052-89-5
PubChem CID71514051
IUPAC Name5-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-4-hydroxy-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
Molecular FormulaC27H31NO4
Molecular Weight433.5
XLogP5.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity717
SMILES
CC(=CC(=O)C/C(=C/CC1=C(C=C2C(=C1O)CN(C2=O)CCC3=CC=CC=C3)OC)/C)C
InChI
InChI=1S/C27H31NO4/c1-18(2)14-21(29)15-19(3)10-11-22-25(32-4)16-23-24(26(22)30)17-28(27(23)31)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+
InChIKey
AAXHHISTDMILPL-VXLYETTFSA-N
Chemical Structure
2D Structure
2D structure of 5-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-4-hydroxy-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
CAS: 1416052-89-5
CID: 71514051
Formula: C27H31NO4
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass433.22530847
Monoisotopic Mass433.22530847
Topological Polar Surface Area66.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity717
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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