Purpurin 7 Dimethyl Ester
AlkaPlorer ID: AK144047
Synonym: None
IUPAC Name: 3-[(2S,3S)-8-ethenyl-13-ethyl-20-(1-hydroxy-2-methoxy-2-oxoethylidene)-18-methoxycarbonyl-3,7,12,17-tetramethyl-3,22-dihydro-2H-porphyrin-2-yl]propanoic acid
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)O)[C@@H]3C
InChI: InChI=1S/C36H38N4O7/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)42)32(39-25)31(34(43)36(45)47-8)33-30(35(44)46-7)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40H,1,10-12H2,2-8H3,(H,41,42)/t18-,22-/m0/s1
InChIKey: DOINJEZQJSBRJI-AVRDEDQJSA-N
Reference
LOTUS: LTS0015698
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: 638.7210000000002
TPSA？: 164.32999999999998
MolLogP？: 6.809740000000006
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|