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Isoharringtonine

CAT: 0931-T75704-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T75704-01Size:5 mg
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CAS Number
26833-86-3
Target
Others, Apoptosis
Related Pathways
Others, Apoptosis
Bioactivity
Isoharringtonine, a natural alkaloid extracted from Cephalotaxus koreana Nakai, exhibits potent anticancer properties, including the inhibition of cancer cell proliferation and migration, along with the induction of apoptosis. It holds potential for cancer research applications [1] [2].
Smiles
O(C([C@]([C@@H](C(OC)=O)O)(CCC(C)C)O)=O)[C@H]1[C@@]2([C@@]3(N(CCC=4C2=CC5=C(C4)OCO5)CCC3)C=C1OC)[H]
Molecular Formula
C28H37NO9
Molecular Weight
531.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isoharringtonine

isoharringtonine has been reported in Cephalotaxus fortunei and Cephalotaxus harringtonia with data available.

CAS Number26833-86-3
PubChem CID73492
IUPAC Name1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate
Molecular FormulaC28H37NO9
Molecular Weight531.6
XLogP1.3
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity939
SMILES
CC(C)CC[C@@]([C@@H](C(=O)OC)O)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O
InChI
InChI=1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3/t22-,23-,24-,27+,28-/m1/s1
InChIKey
CAOHZEUEVKYHPF-XWHOPEMDSA-N
Chemical Structure
2D Structure
2D structure of Isoharringtonine
CAS: 26833-86-3
CID: 73492
Formula: C28H37NO9
MW: 531.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight531.6
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass531.24683176
Monoisotopic Mass531.24683176
Topological Polar Surface Area124 Ų
Heavy Atom Count38
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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