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Dehatrine

CAT: 0931-T70034-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T70034-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19634-27-6
Target
Others
Related Pathways
Others
Bioactivity
Dehatrine is from an Indonesian medical plant Beilschmiedia madang; a bisbibenzylisoquinoline alkaloid; inhibits growth of cultured Plasmodium falciparum K1 strain.
Smiles
O(C)C1=C2C3=C(C=C1OC)CCN(C)[C@@]3(CC=4C=C(C(OC)=CC4)OC=5C=CC(CC=6C7=CC(O2)=C(OC)C=C7CCN6)=CC5)[H]
Molecular Formula
C37H38N2O6
Molecular Weight
606.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dehatrine

Dehatrine has been reported in Dehaasia incrassata with data available.

CAS Number19634-27-6
PubChem CID192961
IUPAC Name(14R)-9,20,21,25-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-tridecaene
Molecular FormulaC37H38N2O6
Molecular Weight606.7
XLogP5.8
Topological Polar Surface Area71
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count45
Formal Charge0
Complexity1000
SMILES
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(O3)C=C76)OC)C=C5)OC)OC
InChI
InChI=1S/C37H38N2O6/c1-39-15-13-25-20-34(42-4)36(43-5)37-35(25)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-27-21-33(45-37)31(41-3)19-24(27)12-14-38-28/h6-11,18-21,29H,12-17H2,1-5H3/t29-/m1/s1
InChIKey
LPFIPRSEXCVWTR-GDLZYMKVSA-N
Chemical Structure
2D Structure
2D structure of Dehatrine
CAS: 19634-27-6
CID: 192961
Formula: C37H38N2O6
MW: 606.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.7
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass606.27298694
Monoisotopic Mass606.27298694
Topological Polar Surface Area71 Ų
Heavy Atom Count45
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19209965-01Dehatrine

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