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Epolactaene

CAT: 0013-GTR19209703-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209703-03Size:100 mg
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Description
Epolactaene is a small molecule that induces neurite outgrowth in human neuroblastoma cells. Its mechanism involves the selective inhibition of mammalian DNA polymerases and human DNA topoisomerase II, making it a useful research tool for studying neurogenesis and DNA replication enzymes in vitro.
CAS Number
167782-17-4
Field of Research
Cell Biology, Molecular Biology
Smiles
C (/C (=C/CC/C=C/C (=C/C (/C (OC) =O) =C\C) /C) /C) (=O) [C@@]12[C@@] (O1) (C (C) (O) NC2=O) [H]
Molecular Formula
C21H27NO6
Molecular Weight
389.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Epolactaene

a neuritogenic compound in human neuroblastoma cells; isolated from Penicillium sp. BM1689-P; structure given in first source

CAS Number167782-17-4
PubChem CID6442272
IUPAC Namemethyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate
Molecular FormulaC21H27NO6
Molecular Weight389.4
XLogP2.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity806
SMILES
C/C=C(\C=C(/C)\C=C\CC/C=C(\C)/C(=O)[C@@]12[C@@H](O1)C(NC2=O)(C)O)/C(=O)OC
InChI
InChI=1S/C21H27NO6/c1-6-15(17(24)27-5)12-13(2)10-8-7-9-11-14(3)16(23)21-18(28-21)20(4,26)22-19(21)25/h6,8,10-12,18,26H,7,9H2,1-5H3,(H,22,25)/b10-8+,13-12+,14-11+,15-6+/t18-,20?,21-/m0/s1
InChIKey
GFRNQYUCUNYIEN-ZLXMTJSISA-N
Chemical Structure
2D Structure
2D structure of Epolactaene
CAS: 167782-17-4
CID: 6442272
Formula: C21H27NO6
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass389.18383758
Monoisotopic Mass389.18383758
Topological Polar Surface Area105 Ų
Heavy Atom Count28
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-124552Epolactaene

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