Okadaic acid; Glycine amide
AlkaPlorer ID: AK308541
Synonym: Glycookadaic acid
IUPAC Name: 2-[[2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoyl]amino]acetic acid
Structure
SMILES: C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)NCC(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C
InChI: InChI=1S/C46H71NO14/c1-26-21-35(59-46(23-26)36(49)12-11-32(58-46)24-43(6,54)42(53)47-25-37(50)51)27(2)9-10-31-14-18-45(57-31)19-15-34-41(61-45)38(52)30(5)40(56-34)33(48)22-29(4)39-28(3)13-17-44(60-39)16-7-8-20-55-44/h9-10,23,27-29,31-36,38-41,48-49,52,54H,5,7-8,11-22,24-25H2,1-4,6H3,(H,47,53)(H,50,51)
InChIKey: WYVJBQFIQAZYCH-UHFFFAOYSA-N
Reference
CAS: 123764-98-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Halichondria | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Halichondria okadai | Halichondria | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 862.0669999999999
TPSA？: 211.92999999999995
MolLogP？: 4.329800000000005
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|