Onnamide A
AlkaPlorer ID: AK000359
Synonym: '(2S)-2-{(2E,4E,6E,11R)-12-(4S,4aS,6R,8S,8aR)-4-{(2S)-1,2-dihydroxy-2-(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-ylethylideneamino}-8-methoxy-7,7-dimethyl-hexahydro-2H-pyrano3,2-d1,3dioxin-6-yl-1,11-dihydroxydodeca-2,4,6-trien-1-ylideneamino}-5-carbamimidamidopentanoic acid', '(2s)-2-{(2e,4e,6e,11r)-12-(4s,4as,6r,8s,8ar)-4-{(2s)-1,2-dihydroxy-2-(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-ylethylideneamino}-8-methoxy-7,7-dimethyl-hexahydropyrano3,2-d1,3dioxin-6-yl-1,11-dihydroxydodeca-2,4,6-trien-1-ylideneamino}-5-carbamimidamidopentanoic acid', '115204-07-4'
IUPAC Name: (2S)-2-[[(2E,4E,6E,11R)-12-[(4S,4aS,6R,8S,8aR)-4-[[(2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-11-hydroxydodeca-2,4,6-trienoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Structure
SMILES: C=C1C[C@](OC)([C@@H](O)C(O)=N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@H](O)CCC/C=C/C=C/C=C/C(O)=N[C@@H](CCCNC(=N)N)C(=O)O)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C
InChI: InChI=1S/C39H63N5O12/c1-23-21-39(52-7,56-25(3)24(23)2)32(47)34(48)44-35-31-30(53-22-54-35)33(51-6)38(4,5)28(55-31)20-26(45)16-13-11-9-8-10-12-14-18-29(46)43-27(36(49)50)17-15-19-42-37(40)41/h8-10,12,14,18,24-28,30-33,35,45,47H,1,11,13,15-17,19-22H2,2-7H3,(H,43,46)(H,44,48)(H,49,50)(H4,40,41,42)/b9-8+,12-10+,18-14+/t24-,25-,26-,27+,28-,30+,31+,32+,33-,35+,39-/m1/s1
InChIKey: YWUNVHXKGMPHDM-XTDHNIAMSA-N
Reference
Three New Onnamide Congeners from the Okinawan Marine Sponge Theonella Sp.
PubChem CID: 101526809
LOTUS: LTS0000154
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 793.9559999999999
TPSA？: 260.22
MolLogP？: 3.4180700000000064
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|