Renieramycin E
AlkaPlorer ID: AK002119
Synonym: None
IUPAC Name: [(1S,2S,10R,12S,13R)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)\C(=O)OC[C@H]1C2=C(C[C@@H]3N1[C@H]([C@H]4CC5=C([C@@H]3N4C)C(=O)C(=C(C5=O)C)OC)O)C(=O)C(=C(C2=O)OC)C
InChI: InChI=1S/C30H34N2O9/c1-8-12(2)30(38)41-11-19-20-15(23(33)13(3)27(39-6)25(20)35)9-17-22-21-16(10-18(31(22)5)29(37)32(17)19)24(34)14(4)28(40-7)26(21)36/h8,17-19,22,29,37H,9-11H2,1-7H3/b12-8-/t17-,18+,19-,22+,29-/m0/s1
InChIKey: BGHIUZDGPHSOIT-DIGPWJHHSA-N
Reference
A New Antitumor Isoquinoline Alkaloid from the Marine Nudibranch Jorunna funebris
PubChem CID: 5352101
Source
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Properties Information
Molecule Weight: 566.6070000000003
TPSA？: 139.75
MolLogP？: 1.0810000000000008
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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