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name Structure Reference Source Properties Activities Metabolism

(1E,3R,4R,5S,6R,9S,10S)-4-(acetyloxy)-11-[(10S,11R,16S,20S,21R,22S)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-10-methox

AlkaPlorer ID: AK598489

Synonym: None

IUPAC Name: [(E,3S,4R,5S,6R,9S,10S)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(10S,11R,13E,16R,20S,21S,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] (2R)-2,3-dimethoxypropanoate

Structure

SMILES: COC[C@@H](OC)C(=O)O[C@H](CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)/C=C/C[C@H](OC)[C@@H]1C)OC)[C@H](C)[C@H](OC(C)=O)[C@@H](C)/C=C/N(C)C=O

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InChI: InChI=1S/C52H74N4O17/c1-30(19-20-42(73-52(62)45(66-11)28-63-8)34(5)48(71-35(6)58)31(2)21-22-56(7)29-57)43(65-10)24-44-33(4)41(64-9)17-14-18-46-53-38(26-68-46)50-55-39(27-70-50)51-54-37(25-69-51)49(67-12)32(3)40(60)16-13-15-36(59)23-47(61)72-44/h13-14,16,18,21-22,25-27,29-34,36,41-45,48-49,59H,15,17,19-20,23-24,28H2,1-12H3/b16-13+,18-14+,22-21+/t30-,31-,32-,33-,34-,36+,41-,42+,43-,44-,45+,48+,49-/m0/s1

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InChIKey: ZYDMLFOHENLMIN-KJKVEQENSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Mycale adhaerens Mycale Mycalidae Poecilosclerida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 1027.1749999999995

TPSA？: 260.74999999999994

MolLogP？: 6.754800000000008

Number of H-Donors: 1

Number of H-Acceptors: 20

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information