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Nectandrin B

CAT: 0804-HY-W713570-01Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W713570-01Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nectandrin B is an inhibitor of DNA topoisomerases I and II, which is found in Saururus chinensis. Nectandrin B is promising for research of cancers[1].
CAS Number
74683-16-2
UNSPSC
12352005
Target
Topoisomerase
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Cancer
Smiles
C[C@H]1[C@H]([C@@H](O[C@@H]1C2=CC(OC)=C(C=C2)O)C3=CC=C(C(OC)=C3)O)C
Molecular Formula
C20H24O5
Molecular Weight
344.40
References & Citations
[1]Lee YK, et al. Inhibition of DNA topoisomerases I and II and cytotoxicity by lignans from Saururus chinensis. Arch Pharm Res. 2009 Oct;32 (10) :1409-15.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported
Isoform
Topo I; Topo II

Chemical Information

Nectandrin B

Nectandrin B is a lignan.

CAS Number74683-16-2
PubChem CID156517
IUPAC Name4-[(2R,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Molecular FormulaC20H24O5
Molecular Weight344.4
XLogP3.7
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity392
SMILES
C[C@@H]1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
InChI
InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+
InChIKey
GMXMKSFJQLFOSO-JARDSOJUSA-N
Chemical Structure
2D Structure
2D structure of Nectandrin B
CAS: 74683-16-2
CID: 156517
Formula: C20H24O5
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass344.16237386
Monoisotopic Mass344.16237386
Topological Polar Surface Area68.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TRC-N388655-2.5MGNectandrin B

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