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9-Hydroxycrisamicin

CAT: 0013-GTR19255489-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255489-01Size:50 mg
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Description
9-Hydroxycrisamicin exhibits moderate activity against Gram-positive bacteria with a minimum inhibitory concentration (MIC) ranging from 6.25 to 25 μg/mL. Additionally, 9-Hydroxycrisamicin demonstrates significant growth inhibition towards various human tumor cell lines.
CAS Number
194851-54-2
Field of Research
Infectious Disease & Virology
Smiles
O=C1C2=C (C (=O) C=3C1=C (O) C=C (C3O) C=4C=C5C (=C (O) C4) C (=O) C6=C (C5=O) [C@H] (C) O[C@@]7 ([C@]6 (OC (=O) C7) [H]) [H]) [C@H] (C) O[C@@]8 ([C@]2 (OC (=O) C8) [H]) [H]
Molecular Formula
C32H22O13
Molecular Weight
614.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9-Hydroxycrisamicin A

9-Hydroxycrisamicin A is a quinone.

CAS Number194851-54-2
PubChem CID135469196
IUPAC Name17-methyl-5-(2,7,9-trihydroxy-17-methyl-13-oxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-5-yl)-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),5-triene-2,4,7,9,13-pentone
Molecular FormulaC32H22O13
Molecular Weight614.5
XLogP1
Topological Polar Surface Area200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count1
Heavy Atom Count45
Formal Charge0
Complexity1580
SMILES
CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=O)C(=CC4=O)C5=CC6=C(C(=C5)O)C(=C7C8C(CC(=O)O8)OC(C7=C6O)C)O
InChI
InChI=1S/C32H22O13/c1-8-19-24(31-15(42-8)6-17(35)44-31)29(40)21-12(27(19)38)3-10(4-13(21)33)11-5-14(34)22-23(26(11)37)28(39)20-9(2)43-16-7-18(36)45-32(16)25(20)30(22)41/h3-5,8-9,15-16,31-33,38,40H,6-7H2,1-2H3
InChIKey
RGSLIARMZRMUIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Hydroxycrisamicin A
CAS: 194851-54-2
CID: 135469196
Formula: C32H22O13
MW: 614.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.5
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count1
Exact Mass614.10604075
Monoisotopic Mass614.10604075
Topological Polar Surface Area200 Ų
Heavy Atom Count45
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N143699-Hydroxycrisamicin
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