Effusanin A

CAT: 0931-TN3920-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN3920-02Size:5 mg

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CAS Number

30220-43-0

Target

Antifection, Raf, Antibacterial

Related Pathways

MAPK, Microbiology/Virology

Purity

0.98

Bioactivity

Effusanin A has antibacterial activity. It exhibits DNA-damaging activity in assay which employed DNA-repair deficient (RAD 52Y) and repairs proficient (RAD +) yeast strains. Effusanin A shows inhibitory effects on DU145 cells with IC50 value of 3.16 μM, and LoVo cells with IC50 value of 3.02 μM.

Smiles

O[C@]12[C@]34[C@]([C@]5([C@]([C@@H]1O)([C@@](C)(C)CC[C@@H]5O)[H])CO2)(CC[C@](C3)(C(=C)C4=O)[H])[H]

Molecular Formula

C20H28O5

Molecular Weight

348.43

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Effusanin A

(1S,2S,5R,8S,9S,10S,11R,15S)-9,10,15-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-one has been reported in Isodon effusus, Isodon rugosus, and other organisms with data available.

CAS Number	30220-43-0
PubChem CID	34174827
IUPAC Name	(1S,2S,5R,8S,9S,10S,11R,15S)-9,10,15-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Molecular Formula	C20H28O5
Molecular Weight	348.4
XLogP	1.2
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	25
Formal Charge	0
Complexity	686

SMILES

CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H](C4)C(=C)C5=O)(OC3)O)O)O)C

InChI

InChI=1S/C20H28O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12+,13+,14-,16+,18-,19+,20-/m1/s1

InChIKey

PXLVZESUZUOWAJ-SLMDOUBJSA-N

Chemical Structure

2D Structure

CAS: 30220-43-0

CID: 34174827

Formula: C20H28O5

MW: 348.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	348.4
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	348.19367399
Monoisotopic Mass	348.19367399
Topological Polar Surface Area	87 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	686
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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
FE65670-01	Effusanin A
GTR19221918	Effusanin E
380168	Effusanin B

Effusanin A

Chemical Information

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