Products for Research Use Only
RegisterLogin

IRAK inhibitor 3

CAT: 0127-BUP20555-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP20555-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
94396-09-5
Purity
=98%
Smiles
COc1cc(ccc1O)-c1coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c(O)c2c1=O

Chemical Information

Iristectorin B

Iristectorin B has been reported in Iris domestica with data available.

CAS Number94396-09-5
PubChem CID5318487
IUPAC Name5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC23H24O12
Molecular Weight492.4
XLogP0.8
Topological Polar Surface Area185
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity776
SMILES
COC1=C(C=CC(=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C23H24O12/c1-31-12-5-9(3-4-11(12)25)10-8-33-13-6-14(22(32-2)19(28)16(13)17(10)26)34-23-21(30)20(29)18(27)15(7-24)35-23/h3-6,8,15,18,20-21,23-25,27-30H,7H2,1-2H3/t15-,18-,20+,21-,23-/m1/s1
InChIKey
XVNKSNSGLVWSFS-ZTATXHNCSA-N
Chemical Structure
2D Structure
2D structure of Iristectorin B
CAS: 94396-09-5
CID: 5318487
Formula: C23H24O12
MW: 492.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.4
XLogP30.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass492.12677620
Monoisotopic Mass492.12677620
Topological Polar Surface Area185 Ų
Heavy Atom Count35
Formal Charge0
Complexity776
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

Related Products

CatalogName
BUP08574-01IRAK inhibitor 1
BUP04163-01IRAK inhibitor 6
BUP08187-01IRAK inhibitor 2
BUP07320-01IRAK-1-4 Inhibitor I
BUP13815-01IRAK-4 protein kinase inhibitor 2
BUP21501-01IRAK degrader-1
BUP09967-01LASV inhibitor 3.3
BUP06965-01GSK-3ß inhibitor 3
BUP05564-01GSK-3 inhibitor 3
BUP20898-01Tuberculosis inhibitor 3

Alternative Products

CatalogName
MBS386788-01IRAK inhibitor 6 (IRAK-IN-6)
SRB67297-01IRAK inhibitor 6
HY-13276-01IRAK inhibitor 2
MBS386784-01IRAK inhibitor 1
MBS3614900-01IRAK inhibitor 3
HY-13278-01IRAK inhibitor 4

Popular Products