Arenimycin B
AlkaPlorer ID: AK004308
Synonym: None
IUPAC Name: methyl (6aR,14aS)-11-[[(2S,3R,4S,5R,6S)-5-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-3-methoxy-6-methyloxan-2-yl]amino]-1,8,14a-trihydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
Structure
SMILES: COC(=O)C1=C(C)C=C2CC[C@]3(OC)C(=O)C4=C(C=C5C(=O)C(N[C@H]6O[C@@H](C)[C@H](O[C@@H]7CC[C@H](N(C)C)[C@H](C)O7)[C@H](O)[C@H]6OC)=CC(=O)C5=C4O)C(=O)[C@]3(O)C2=C1O
InChI: InChI=1S/C41H48N2O15/c1-16-13-19-11-12-40(55-8)37(50)28-21(36(49)41(40,52)29(19)32(47)26(16)39(51)54-7)14-20-27(31(28)46)24(44)15-22(30(20)45)42-38-35(53-6)33(48)34(18(3)57-38)58-25-10-9-23(43(4)5)17(2)56-25/h13-15,17-18,23,25,33-35,38,42,46-48,52H,9-12H2,1-8H3/t17-,18-,23-,25+,33-,34-,35+,38-,40-,41+/m0/s1
InChIKey: GKWSTXDESFGCFI-JCWQUROISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Arenicola | Arenicolidae | None | Polychaeta | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 808.8340000000004
TPSA？: 236.92
MolLogP？: 1.604620000000002
Number of H-Donors: 5
Number of H-Acceptors: 17
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|