3-[20-(2-carboxyethyl)-10-ethyl-15-(1-hydroxyethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,?.1?,¹¹.1¹³,¹?]tetracosa-1(21),2,4,6(24),7,9,11,13,15,17,19-undecaen-4-yl]propanoic acid
AlkaPlorer ID: AK015008
Synonym: None
IUPAC Name: 3-[18-(2-carboxyethyl)-8-ethyl-13-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
Structure
SMILES: CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(C(C)O)C(C)=C(C=C1N2)N5)C(C)=C4CCC(=O)O)C(CCC(=O)O)=C3C
InChI: InChI=1S/C34H38N4O5/c1-7-21-16(2)24-12-25-17(3)22(8-10-32(40)41)29(36-25)15-30-23(9-11-33(42)43)18(4)26(37-30)14-31-34(20(6)39)19(5)27(38-31)13-28(21)35-24/h12-15,20,35,38-39H,7-11H2,1-6H3,(H,40,41)(H,42,43)
InChIKey: JYLAITRQWJPNBC-UHFFFAOYSA-N
Reference
Hypericum perforatum L. extract – Novel photosensitizer against human bladder cancer cells
PubChem CID: 3086258
LOTUS: LTS0140418
COCONUT: CNP0214922
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypericum perforatum | Hypericum | Hypericaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 582.7010000000004
TPSA？: 152.19
MolLogP？: 7.138340000000007
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|