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name Structure Reference Source Properties Activities Metabolism

(1E,3S,4R,5R,9R,10S)-11-[(10S,11R,16R,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-methoxy-3,5,9-trimethyl

AlkaPlorer ID: AK529733

Synonym: None

IUPAC Name: [(E,3S,4R,5R,9R,10S)-1-[formyl(methyl)amino]-11-[(10S,11R,13E,16R,20S,21R,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-trimethyl-6-oxoundec-1-en-4-yl] acetate

Structure

SMILES: CO[C@H]1C/C=C/C2=NC(=CO2)C2=NC(=CO2)C2=NC(=CO2)[C@@H](OC)[C@@H](C)C(=O)/C=C/C[C@@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)/C=C/N(C)C=O)[C@@H]1C

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InChI: InChI=1S/C47H64N4O14/c1-27(17-18-38(56)29(3)44(64-32(6)53)28(2)19-20-51(7)26-52)40(59-9)22-41-31(5)39(58-8)15-12-16-42-48-35(24-61-42)46-50-36(25-63-46)47-49-34(23-62-47)45(60-10)30(4)37(55)14-11-13-33(54)21-43(57)65-41/h11-12,14,16,19-20,23-31,33,39-41,44-45,54H,13,15,17-18,21-22H2,1-10H3/b14-11+,16-12+,20-19+/t27-,28+,29+,30+,31-,33-,39+,40+,41+,44-,45+/m1/s1

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InChIKey: SZQYPBVSIIOBCT-UUXFZUAPSA-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: 909.043

TPSA？: 233.06

MolLogP？: 6.750700000000008

Number of H-Donors: 1

Number of H-Acceptors: 17

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information