RA-XV
AlkaPlorer ID: AK038124
Synonym: ''
IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,4R,7S,10S,13S,16S)-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-24-yl]oxy]oxan-2-yl]methyl acetate
Structure
SMILES: COC1=CC=C(C[C@H]2C(O)=N[C@@H](C)C(=O)N(C)[C@H]3CC4=CC=C(C=C4)OC4=CC(=CC=C4O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)C[C@@H](C(O)=N[C@H](C)C(O)=N[C@@H](C)C(=O)N2C)N(C)C3=O)C=C1
InChI: InChI=1S/C48H60N6O15/c1-24-42(59)50-25(2)45(62)52(5)33(19-28-9-14-31(65-8)15-10-28)44(61)51-26(3)46(63)54(7)35-20-29-11-16-32(17-12-29)67-37-22-30(21-34(43(60)49-24)53(6)47(35)64)13-18-36(37)68-48-41(58)40(57)39(56)38(69-48)23-66-27(4)55/h9-18,22,24-26,33-35,38-41,48,56-58H,19-21,23H2,1-8H3,(H,49,60)(H,50,59)(H,51,61)/t24-,25+,26+,33+,34+,35+,38-,39-,40+,41-,48-/m1/s1
InChIKey: SZTUUTSOEYYVOX-LHNMYTSMSA-N
Reference
Two antitumour bicyclic hexapeptides from Rubia cordifolia
PubChem CID: 163039543
LOTUS: LTS0133800
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rubia cordifolia | Rubia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 961.035
TPSA？: 282.61
MolLogP？: 2.107900000000005
Number of H-Donors: 6
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|