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Lankacidinol

CAT: 0804-HY-117183Size: 1 EachDry Ice: NoHazardous: No
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Description
Lankacidinol (T-2636 F) is an antibiotic. Lankacidinol and its related metabolites 2,18-seco-lankacidinol A (1) and 2,18-seco-lankacidinol B (2) have significant biological activities and potential medicinal value. In addition, 2,18-seco-lankacidinol A exhibits potent antitumor activity.
CAS Number
23498-37-5
Product Name Alternative
T-2636 F
UNSPSC
12352005
Target
Antibiotic
Type
Natural Products
Related Pathways
Anti-infection
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/lankacidinol.html
Smiles
O[C@@H](C(N[C@@H]([C@](C)1C([C@@H]2C)=O)/C=C(/C=C/[C@H](C/C=C(/C=C/[C@H](C[C@]2(OC1=O)[H])O)C)O)C)=O)C
Molecular Formula
C25H35NO7
Molecular Weight
461.55
References & Citations
[1]Studies on T-2636 antibiotics. II Isolation and chemical properties of T-2636 antibiotics
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(2S)-N-[(1S,2R,3Z,5Z,7S,9Z,11Z,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-hydroxypropanamide
CAS Number23498-37-5
PubChem CID101643269
IUPAC Name(2S)-N-[(1S,2R,3Z,5Z,7S,9Z,11Z,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-hydroxypropanamide
Molecular FormulaC25H35NO7
Molecular Weight461.5
XLogP1.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity887
SMILES
C[C@@H]1[C@H]2C[C@@H](/C=C\C(=C/C[C@@H](/C=C\C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)[C@H](C)O)\C)O)\C)O
InChI
InChI=1S/C25H35NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16-21,27-29H,9,13H2,1-5H3,(H,26,31)/b10-8-,11-7-,14-6-,15-12-/t16-,17+,18+,19-,20-,21-,25+/m1/s1
InChIKey
FUDDPCATVZFGCZ-BQKKTRONSA-N
Chemical Structure
2D Structure
2D structure of (2S)-N-[(1S,2R,3Z,5Z,7S,9Z,11Z,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-hydroxypropanamide
CAS: 23498-37-5
CID: 101643269
Formula: C25H35NO7
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass461.24135246
Monoisotopic Mass461.24135246
Topological Polar Surface Area133 Ų
Heavy Atom Count33
Formal Charge0
Complexity887
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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