Cyclo(13,15-dichloro-L-Pro-L-Tyr)
AlkaPlorer ID: AK116799
Synonym: None
IUPAC Name: (3R,8aR)-3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Structure
SMILES: O=C1[C@@H](CC2=CC(Cl)=C(O)C(Cl)=C2)N=C(O)[C@H]2CCCN12
InChI: InChI=1S/C14H14Cl2N2O3/c15-8-4-7(5-9(16)12(8)19)6-10-14(21)18-3-1-2-11(18)13(20)17-10/h4-5,10-11,19H,1-3,6H2,(H,17,20)/t10-,11-/m1/s1
InChIKey: QLJFYTMVYIVQDQ-GHMZBOCLSA-N
Reference
An Inhibitor of CCL2-Induced Chemotaxis from the Fungus <i>Leptoxyphium</i> sp.
PubChem CID: 44254331
LOTUS: LTS0240397
SuperNatural Ⅲ: SN0308630-01
NPASS: NPC138803
{NPAtlas: NPA015191
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptoxyphium sp. | Leptoxyphium | Capnodiaceae | Capnodiales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 329.18300000000016
TPSA？: 73.13
MolLogP？: 2.571200000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | C-C chemokine receptor type 2 | Inhibition | None | % | 10.1021/np800745r |
| None | ADMET | Activity | None | None | 10.1021/np800745r |