Tenuecyclamide C
AlkaPlorer ID: AK059414
Synonym: None
IUPAC Name: (4S,18S)-4,7-dimethyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Structure
SMILES: CSCC[C@@H]1N=C(O)C2=CSC(=N2)CN=C(O)C2=C(C)OC(=N2)[C@H](C)N=C(O)C2=CSC1=N2
InChI: InChI=1S/C20H22N6O4S3/c1-9-19-26-15(10(2)30-19)18(29)21-6-14-23-12(7-32-14)17(28)24-11(4-5-31-3)20-25-13(8-33-20)16(27)22-9/h7-9,11H,4-6H2,1-3H3,(H,21,29)(H,22,27)(H,24,28)/t9-,11-/m0/s1
InChIKey: DMFUPHMBLSJHNR-ONGXEEELSA-N
Reference
PubChem CID: 10720367
LOTUS: LTS0050937
SuperNatural Ⅲ: SN0069503-02
NPASS: NPC217981
{NPAtlas: NPA013841
Source
Properties Information
Molecule Weight: 506.6350000000003
TPSA?: 149.57999999999998
MolLogP?: 4.5790200000000025
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Paracentrotus lividus | Paracentrotus lividus | ED100 | 9.0 | uM | 10.1021/np980138j |
