Ulleungamide A; 4AR-Hydroxy 

AlkaPlorer ID: AK317125

Synonym: Ulleungamide B

IUPAC Name: 4-[[1-[(10-benzyl-15,29,30-trihydroxy-24,31-dimethyl-2,9,12,19,22,26-hexaoxo-25-oxa-1,8,11,18,21-pentazatetracyclo[25.4.0.03,8.013,18]hentriacont-27-en-23-yl)amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-4-oxo-2-propan-2-ylbutanoic acid

Structure

SMILES: CC(C)C(CC(=O)N(C)C(CC1=CC=CC=C1)C(O)=NC1C(O)=NCC(=O)N2CCC(O)CC2C(O)=NC(CC2=CC=CC=C2)C(=O)N2CCCCC2C(=O)N2C(=CC(O)C(O)C2C)C(=O)OC1C)C(=O)O

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InChI: InChI=1S/C51H67N7O14/c1-28(2)34(50(69)70)25-41(61)55(5)37(23-32-16-10-7-11-17-32)45(64)54-43-30(4)72-51(71)39-26-40(60)44(63)29(3)58(39)49(68)36-18-12-13-20-57(36)48(67)35(22-31-14-8-6-9-15-31)53-46(65)38-24-33(59)19-21-56(38)42(62)27-52-47(43)66/h6-11,14-17,26,28-30,33-38,40,43-44,59-60,63H,12-13,18-25,27H2,1-5H3,(H,52,66)(H,53,65)(H,54,64)(H,69,70)

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InChIKey: YFKVTEVQXHWJGL-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 1002.132

TPSA: 303.3

MolLogP: 2.167100000000009

Number of H-Donors: 7

Number of H-Acceptors: 13

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information