methyl (10Z)-10-ethylidene-13-[17-(1-hydroxyethyl)-6-methoxy-1-(methoxycarbonyl)-3,13-diazapentacyclo[13.3.1.0²,¹?.0?,?.0¹³,¹?]nonadeca-2(10),4,6,8-tetraen-7-yl]-6-oxa-8,15-diazapentacyclo[12.7.0.0³,?.0?,¹¹.0¹?,²¹]henicosa-1(14),16,18,20-tetraene-4-carboxylate
AlkaPlorer ID: AK375688
Synonym: None
IUPAC Name: methyl (3S,4S,10Z,11S,13S)-10-ethylidene-13-[(1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-6-methoxy-1-methoxycarbonyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-yl]-6-oxa-8,15-diazapentacyclo[12.7.0.03,8.04,11.016,21]henicosa-1(14),16,18,20-tetraene-4-carboxylate
Structure
SMILES: C/C=C1\CN2COC[C@@]3(C(=O)OC)[C@@H]2CC2=C(NC4=CC=CC=C24)[C@H](C2=CC4=C(C=C2OC)NC2=C4CCN4C[C@@H]5C[C@H]([C@H](C)O)[C@H]4[C@@]2(C(=O)OC)C5)C[C@@H]13
InChI: InChI=1S/C44H52N4O7/c1-6-25-20-48-22-55-21-44(42(51)54-5)33(25)15-31(38-32(16-37(44)48)26-9-7-8-10-34(26)45-38)30-14-29-27-11-12-47-19-24-13-28(23(2)49)40(47)43(18-24,41(50)53-4)39(27)46-35(29)17-36(30)52-3/h6-10,14,17,23-24,28,31,33,37,40,45-46,49H,11-13,15-16,18-22H2,1-5H3/b25-6+/t23-,24+,28+,31-,33-,37-,40-,43+,44-/m0/s1
InChIKey: FFKZBOOGMPRTRE-PWPBWCQHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana corymbosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 748.921
TPSA？: 129.34999999999997
MolLogP？: 5.187800000000006
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|