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name Structure Reference Source Properties Activities Metabolism

(24Z)-20-[(10E)-2,8-dimethoxy-3,7,9-trimethyl-11-(N-methylformamido)-6-oxoundec-10-en-1-yl]-10,12,22-trihydroxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,?.1?,?]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-16-yl carbamate

AlkaPlorer ID: AK096127

Synonym: None

IUPAC Name: [(10R,11S,12S,14R,16S,20S,21R,22S,24E)-20-[(E,2S,3S,7R,8R,9R)-11-[formyl(methyl)amino]-2,8-dimethoxy-3,7,9-trimethyl-6-oxoundec-10-enyl]-10,12,22-trihydroxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-16-yl] carbamate

Structure

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

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InChI: InChI=1S/C46H67N5O14/c1-25-17-31(64-46(47)58)19-41(56)65-39(20-38(59-8)26(2)13-14-36(54)30(6)43(60-9)27(3)15-16-51(7)24-52)28(4)35(53)11-10-12-40-48-33(22-61-40)44-50-34(23-63-44)45-49-32(21-62-45)42(57)29(5)37(55)18-25/h10,12,15-16,21-31,35,37-39,42-43,53,55,57H,11,13-14,17-20H2,1-9H3,(H2,47,58)/b12-10+,16-15+/t25-,26-,27+,28+,29-,30-,31-,35-,37-,38-,39-,42+,43+/m0/s1

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InChIKey: VXRUIPMXEQHYMT-PNYLVMIPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Hexabranchus sanguineus Hexabranchus Hexabranchidae Nudibranchia Gastropoda Mollusca Metazoa Eukaryota

Properties Information

Molecule Weight: 914.063

TPSA？: 274.23

MolLogP？: 6.304670000000009

Number of H-Donors: 5

Number of H-Acceptors: 17

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Candida albicans Candida albicans MIC 2.0 ug.mL-1 10.1021/np8007649
Candida albicans Candida albicans MIC nan None 10.1021/np8007649
Cryptococcus gattii Cryptococcus bacillisporus MIC nan None 10.1021/np8007649
Cryptococcus neoformans Cryptococcus neoformans MIC 2.0 ug.mL-1 10.1021/np8007649
Nakaseomyces glabratus Nakaseomyces glabratus MIC 1.0 ug.mL-1 10.1021/np8007649
Pichia kudriavzevii Pichia kudriavzevii MIC nan None 10.1021/np8007649

Metabolism Information