Products for Research Use Only
RegisterLogin

Asperlicin

CAT: 0931-TN9086-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN9086-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
93413-04-8
Target
Cholecystokinin Receptor
Related Pathways
GPCR/G Protein
Bioactivity
Asperlicin is a cholecystokinin (CCK) antagonist that can be found in Aspergillus alliaceus.
Smiles
C([C@@]1(O)[C@@]2(N(C=3C1=CC=CC3)C(=O)[C@H](CC(C)C)N2)[H])[C@H]4C=5N(C=6C(C(=O)N4)=CC=CC6)C(=O)C=7C(N5)=CC=CC7
Molecular Formula
C31H29N5O4
Molecular Weight
535.593
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(7S)-6,7-Dihydro-7-(((2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-1H-imidazo(1,2-a)indol-9-yl)methyl)quinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione

asperlicin has been reported in Aspergillus alliaceus with data available.

CAS Number93413-04-8
PubChem CID3035433
IUPAC Name(7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Molecular FormulaC31H29N5O4
Molecular Weight535.6
XLogP3
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity1090
SMILES
CC(C)C[C@H]1C(=O)N2[C@H](N1)[C@@](C3=CC=CC=C32)(C[C@H]4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O
InChI
InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1
InChIKey
MGMRIOLWEROPJY-FPACPZPDSA-N
Chemical Structure
2D Structure
2D structure of (7S)-6,7-Dihydro-7-(((2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-1H-imidazo(1,2-a)indol-9-yl)methyl)quinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione
CAS: 93413-04-8
CID: 3035433
Formula: C31H29N5O4
MW: 535.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.6
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass535.22195442
Monoisotopic Mass535.22195442
Topological Polar Surface Area114 Ų
Heavy Atom Count40
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN9036-01Aspersitin
TN9162-01Asperlin

Alternative Products

CatalogName
HY-N14304Asperlicin
GTR19199475-01Asperlicin D

Popular Products