117527-06-7
AlkaPlorer ID: AK029027
Synonym: None
IUPAC Name: [24-[5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methylbutanoate
Structure
SMILES: COC1C(C)=CC=CC(C)C(C(C)(O)C=C(C)CC2=CSC(C3(C)OC3C)=N2)OC(=O)C(C)(OC(=O)C(C)C(C)O)CCC(C)CC(O)C(C)C(=O)C(C)C=CCC(C)C(O)C1O
InChI: InChI=1S/C49H77NO12S/c1-27-21-22-48(12,62-44(56)33(7)35(9)51)46(57)60-43(47(11,58)25-28(2)23-37-26-63-45(50-37)49(13)36(10)61-49)32(6)20-16-19-31(5)42(59-14)41(55)40(54)30(4)18-15-17-29(3)39(53)34(8)38(52)24-27/h15-17,19-20,25-27,29-30,32-36,38,40-43,51-52,54-55,58H,18,21-24H2,1-14H3
InChIKey: YAVOPZRQLVNNOF-UHFFFAOYSA-N
Reference
Patellazole C: a novel cytotoxic macrolide from Lissoclinum patella
PubChem CID: 189496
LOTUS: LTS0109839
COCONUT: CNP0115261
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissoclinum patella | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 904.217
TPSA？: 205.47
MolLogP？: 6.727400000000011
Number of H-Donors: 5
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|