methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(4R,13S,15R,16R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazapentacyclo[13.3.1.0⁴,¹².0⁴,¹⁶.0⁵,¹⁰]nonadeca-5(10),6,8,11-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[1
AlkaPlorer ID: AK057667
Synonym: None
IUPAC Name: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,16S,17R)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazapentacyclo[13.3.1.04,12.04,16.05,10]nonadeca-5,7,9,11-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Structure
SMILES: CC[C@]1(O)CN2CCC34C(=NC5=CC=CC=C53)[C@@](C(=O)OC)(C3=CC5=C(C=C3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]53[C@@H]76)CC(C2)[C@@H]41
InChI: InChI=1S/C46H56N4O9/c1-8-41-15-12-18-50-20-17-44(36(41)50)29-21-30(33(56-5)22-32(29)48(4)37(44)46(55,40(53)58-7)38(41)59-26(3)51)45(39(52)57-6)23-27-24-49-19-16-43(34(27)42(54,9-2)25-49)28-13-10-11-14-31(28)47-35(43)45/h10-15,21-22,27,34,36-38,54-55H,8-9,16-20,23-25H2,1-7H3/t27?,34-,36+,37-,38-,41-,42+,43?,44-,45+,46+/m1/s1
InChIKey: AYFGUFZGUHLVPW-VAWQDHDZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus roseus | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Catharanthus ovalis | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 808.9729999999997
TPSA？: 150.67000000000002
MolLogP？: 3.572700000000002
Number of H-Donors: 2
Number of H-Acceptors: 13
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|