None

AlkaPlorer ID: AK323721

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H](CO)N=C(O)[C@@H]1CC(O)=NCC(O)=N[C@@H](CC2=CC=CC=C2)C(O)=NCC(O)=N[C@@H](CO)C(O)=N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(O)=N[C@@H](CC(C)C)C(O)=N1)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC1=CC=CC=C1)C(=O)O

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InChI: InChI=1S/C79H107N17O20/c1-45(2)32-52(70(106)91-57(38-63(81)99)73(109)90-56(36-49-24-13-7-14-25-49)72(108)94-59(79(115)116)37-50-26-15-8-16-27-50)85-66(102)41-84-69(105)55(35-48-22-11-6-12-23-48)89-76(112)61(44-98)95-74(110)58-39-64(100)82-40-65(101)86-54(34-47-20-9-5-10-21-47)68(104)83-42-67(103)87-60(43-97)75(111)88-51(28-17-18-30-80)78(114)96-31-19-29-62(96)77(113)93-53(33-46(3)4)71(107)92-58/h5-16,20-27,45-46,51-62,97-98H,17-19,28-44,80H2,1-4H3,(H2,81,99)(H,82,100)(H,83,104)(H,84,105)(H,85,102)(H,86,101)(H,87,103)(H,88,111)(H,89,112)(H,90,109)(H,91,106)(H,92,107)(H,93,113)(H,94,108)(H,95,110)(H,115,116)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1

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InChIKey: DOTPLVSTJJIZFI-GWKLMXKGSA-N

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Reference

PubChem CID: 155562554

NPASS: NPC484348

Properties Information

Molecule Weight: 1614.8239999999998

TPSA: 624.4300000000003

MolLogP: 8.013270000000022

Number of H-Donors: 20

Number of H-Acceptors: 20

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 Inhibition 56.0 % 10.1021/acs.jnatprod.8b00449

Metabolism Information