Secoemestrin C1
AlkaPlorer ID: AK058811
Synonym: None
IUPAC Name: [(1R,8S,9S)-12-benzyl-16-methyl-11,15-dioxo-5-oxa-13,14-dithia-10,16-diazatetracyclo[10.2.2.01,10.03,9]hexadeca-3,6-dien-8-yl] 3,4-dihydroxybenzoate
Structure
SMILES: CN1C(=O)[C@]23CC4=COC=C[C@H](OC(=O)C5=CC=C(O)C(O)=C5)[C@H]4N2C(=O)C1(CC1=CC=CC=C1)SS3
InChI: InChI=1S/C26H22N2O7S2/c1-27-23(32)26-13-17-14-34-10-9-20(35-22(31)16-7-8-18(29)19(30)11-16)21(17)28(26)24(33)25(27,36-37-26)12-15-5-3-2-4-6-15/h2-11,14,20-21,29-30H,12-13H2,1H3/t20-,21-,25?,26+/m0/s1
InChIKey: MAMPLLWSVYHHFB-XBIDAJIZSA-N
Reference
Isolation and Structures of Novel Fungal Metabolites as Chemokine Receptor (CCR2) Antagonists
PubChem CID: 139585828
LOTUS: LTS0076109
{NPAtlas: NPA009878
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladorrhinum sp. | Cladorrhinum | Podosporaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 538.6030000000002
TPSA？: 116.61
MolLogP？: 3.154200000000003
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|