methyl 14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoacetyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,?.1?,¹¹.1¹³,¹?]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaene-4-carboxylate
AlkaPlorer ID: AK147095
Synonym: None
IUPAC Name: methyl (17S,18S)-12-ethenyl-7-ethyl-20-(1-hydroxy-2-methoxy-2-oxoethylidene)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-18,23-dihydro-17H-porphyrin-2-carboxylate
Structure
SMILES: C=CC1=C(C)C2=CC3=NC(=C(C(=O)C(=O)OC)C4=C(C(=O)OC)C(C)=C(C=C5N=C(C=C1N2)C(C)=C5CC)N4)[C@@H](CCC(=O)OC)[C@@H]3C
InChI: InChI=1S/C37H40N4O7/c1-10-21-17(3)24-14-26-19(5)23(12-13-30(42)46-7)33(40-26)32(35(43)37(45)48-9)34-31(36(44)47-8)20(6)27(41-34)16-29-22(11-2)18(4)25(39-29)15-28(21)38-24/h10,14-16,19,23,38,41H,1,11-13H2,2-9H3/t19-,23-/m0/s1
InChIKey: CCVDEFXTCMRJQH-CVDCTZTESA-N
Reference
LOTUS: LTS0243843
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: 652.7480000000002
TPSA？: 153.32999999999998
MolLogP？: 6.898140000000007
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|