3-[16-ethenyl-11-ethyl-3-hydroxy-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1?,?.1¹?,¹³.1¹?,¹?.0²,?]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid
AlkaPlorer ID: AK107037
Synonym: None
IUPAC Name: 3-[(3S,21S,22S)-16-ethenyl-11-ethyl-3,4-dihydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
Structure
SMILES: C=CC1=C(C)C2=CC3=NC(=C4C5=C(C(=O)[C@]4(O)C(=O)OC)C(C)=C(C=C4N=C(C=C1N2)C(C)=C4CC)N5)[C@@H](CCC(=O)O)[C@@H]3C
InChI: InChI=1S/C35H36N4O6/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)31(38-24)30-32-29(33(42)35(30,44)34(43)45-7)18(6)25(39-32)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,36,39,44H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,35-/m0/s1
InChIKey: TXOKSKCKTYISQV-FHCXDJKBSA-N
Reference
LOTUS: LTS0112805
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clerodendrum calamitosum | Clerodendrum | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Clerodendrum cyrtophyllum | Clerodendrum | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.6950000000002
TPSA？: 158.25999999999996
MolLogP？: 6.224340000000005
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|