Lobophorin A
AlkaPlorer ID: AK024649
Synonym: 'Lobophorin D', 'Lobophorin A', 'Lobophorin C'
IUPAC Name: methyl N-[(2R,3R,4S,6R)-4-amino-6-[[(1S,3R,6S,9S,13S,16S,17S,18R,20S,21R,22S)-23-hydroxy-17-[(2R,4R,5S,6S)-5-hydroxy-4-[(2R,4S,5S,6R)-4-hydroxy-5-[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2,4-dimethyloxan-3-yl]carbamate
Structure
SMILES: COC(O)=N[C@H]1[C@@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@@H](O)[C@@H](OC)[C@H](C)O7)[C@@H](C)O6)[C@@H](O)[C@H](C)O5)[C@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(C[C@@H](C)C(CO)=C[C@H]4C=C2C)C3=O)C[C@]1(C)N
InChI: InChI=1S/C61H92N2O19/c1-27-14-17-42(78-47-25-59(10,62)54(35(9)77-47)63-58(71)73-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)82-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)80-46-23-43(50(67)32(6)74-46)79-44-22-41(66)53(34(8)76-44)81-45-21-40(65)52(72-12)33(7)75-45/h14-16,19-20,29-35,37-47,49-54,64-68H,17-18,21-26,62H2,1-13H3,(H,63,71)/t29-,30+,31+,32-,33-,34+,35+,37+,38-,39-,40+,41-,42-,43+,44+,45+,46-,47-,49+,50-,51-,52-,53+,54-,59-,60+,61-/m0/s1
InChIKey: BFIFMYVVBKSDFE-CDLXNPJNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Betonica officinalis | Betonica | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1157.4019999999998
TPSA？: 295.4299999999999
MolLogP？: 5.459300000000009
Number of H-Donors: 7
Number of H-Acceptors: 20
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|