methyl 16-ethenyl-11-ethyl-3-hydroxy-22-(3-methoxy-3-oxopropyl)-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)-decaene-3-carboxylate
AlkaPlorer ID: AK108670
Synonym: None
IUPAC Name: methyl (3S,21S,22S)-16-ethenyl-11-ethyl-3,4-dihydroxy-22-(3-methoxy-3-oxopropyl)-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-undecaene-3-carboxylate
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)OC)[C@@H]3C
InChI: InChI=1S/C36H38N4O6/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)45-7)32(39-25)31-33-30(34(42)36(31,44)35(43)46-8)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40,44H,1,10-12H2,2-8H3/t18-,22-,36-/m0/s1
InChIKey: DOFYAVLOCYRMIV-ULTRRKBWSA-N
Reference
LOTUS: LTS0266243
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: 622.7220000000001
TPSA？: 147.25999999999996
MolLogP？: 6.312740000000005
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|