Hexacyclinol

CAT: 0931-TN10830-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TN10830-02Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

903574-41-4

Target

Parasite, Antibiotic, Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Hexacyclinol exhibits moderate activity against Gram-positive bacteria and can inhibit oxidant production in yeast polysaccharide-stimulated polymorphonuclear leukocytes (PMNL) at concentrations of 4–40 μg/mL. It suppresses the growth of L-930 and K562 cells with IC50 values of 1.4 μg/mL and 0.4 μg/mL, respectively, and has an IC50 of 10 μg/mL for HeLa cells. Additionally, Hexacyclinol shows antimalarial activity, with an IC50 of 2.4 μg/mL against Plasmodium falciparum.

Smiles

C(OC)(C)(C)[C@@H]1[C@@]23[C@@]([C@@](O[C@@H]2C=C(C)C)([C@]4([C@@](C3=O)(O4)[H])[H])[H])([C@]5(C(=C1)C(=O)[C@@]6([C@]([C@@H]5O)(O6)[H])[H])[H])[H]

Molecular Formula

C23H28O7

Molecular Weight

416.46

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Hexacyclinol

an antiproliferative metabolite of Panus rudis HKI 0254; structure in first source

CAS Number	903574-41-4
PubChem CID	11975375
IUPAC Name	(1S,2S,6S,8S,9R,10S,11S,12R,13S,15S,17R)-9-hydroxy-2-(2-methoxypropan-2-yl)-17-(2-methylprop-1-enyl)-7,14,18-trioxahexacyclo[10.4.2.01,11.04,10.06,8.013,15]octadec-3-ene-5,16-dione
Molecular Formula	C23H28O7
Molecular Weight	416.5
XLogP	0.5
Topological Polar Surface Area	97.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	915

SMILES

CC(=C[C@@H]1[C@@]23[C@H](C=C4[C@H]([C@@H]2[C@@H](O1)[C@H]5[C@@H](C3=O)O5)[C@H]([C@H]6[C@@H](C4=O)O6)O)C(C)(C)OC)C

InChI

InChI=1S/C23H28O7/c1-8(2)6-11-23-10(22(3,4)27-5)7-9-12(15(25)18-17(29-18)14(9)24)13(23)16(28-11)19-20(30-19)21(23)26/h6-7,10-13,15-20,25H,1-5H3/t10-,11-,12-,13-,15-,16-,17-,18+,19+,20+,23+/m1/s1

InChIKey

PFZFRWWDGXFULQ-NHFKQXEKSA-N

Chemical Structure

2D Structure

CAS: 903574-41-4

CID: 11975375

Formula: C23H28O7

MW: 416.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	416.5
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	416.18350323
Monoisotopic Mass	416.18350323
Topological Polar Surface Area	97.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	915
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19255538-01	Hexacyclinol

Hexacyclinol

Chemical Information

Alternative Products

Popular Products