8'-acetyl-6'-hydroxy-5'-methoxy-3,14'-dimethyl-8',14'-diazaspiro[oxirane-2,18'-tetracyclo[9.5.2.0¹,?.0²,?]octadecane]-2'(7'),3',5'-trien-17'-one
AlkaPlorer ID: AK136669
Synonym: None
IUPAC Name: (1R,3'S,9S,11S,18S)-8-acetyl-6-hydroxy-5-methoxy-3',14-dimethylspiro[8,14-diazatetracyclo[9.5.2.01,9.02,7]octadeca-2(7),3,5-triene-18,2'-oxirane]-17-one
Structure
SMILES: COC1=C(O)C2=C(C=C1)[C@]13CCN(C)CC[C@@H](C[C@@H]1N2C(C)=O)[C@@]1(O[C@H]1C)C3=O
InChI: InChI=1S/C22H28N2O5/c1-12-22(29-12)14-7-9-23(3)10-8-21(20(22)27)15-5-6-16(28-4)19(26)18(15)24(13(2)25)17(21)11-14/h5-6,12,14,17,26H,7-11H2,1-4H3/t12-,14-,17-,21+,22+/m0/s1
InChIKey: PCKNNBQTKQWZDD-JIYRDRQMSA-N
Reference
Tasipeptins A and B: New Cytotoxic Depsipeptides from the Marine Cyanobacterium<i>Symploca</i>sp.
PubChem CID: 70684075
NPASS: NPC470480
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Geissospermum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 400.4750000000001
TPSA？: 82.61000000000001
MolLogP？: 1.8458
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania infantum | Leishmania infantum | GI50 | 100.0 | ug.mL-1 | 10.1021/np300067m |