Hinduchelin D
AlkaPlorer ID: AK114869
Synonym: None
IUPAC Name: 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
Structure
SMILES: COC1=CC=CC(C2=NC(C(O)=NCCC3=CC=CC=C3)=C(C)O2)=C1O
InChI: InChI=1S/C20H20N2O4/c1-13-17(19(24)21-12-11-14-7-4-3-5-8-14)22-20(26-13)15-9-6-10-16(25-2)18(15)23/h3-10,23H,11-12H2,1-2H3,(H,21,24)
InChIKey: MDKMSZUTNDZRQG-UHFFFAOYSA-N
Reference
Hinduchelins A–D, Noncytotoxic Catechol Derivatives from <i>Streptoalloteichus hindustanus</i>
PubChem CID: 139590041
LOTUS: LTS0217588
NPASS: NPC485757
COCONUT: CNP0072956
{NPAtlas: NPA022705
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 352.3900000000001
TPSA？: 88.08
MolLogP？: 3.911520000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/acs.jnatprod.8b00049 |
| Homo sapiens | HL-60 | Activity | None | None | 10.1021/acs.jnatprod.8b00049 |
| Homo sapiens | MCF7 | Activity | None | None | 10.1021/acs.jnatprod.8b00049 |
| Homo sapiens | SMMC-7721 | Activity | None | None | 10.1021/acs.jnatprod.8b00049 |
| Homo sapiens | SW480 | Activity | None | None | 10.1021/acs.jnatprod.8b00049 |
| None | No relevant target | Activity | None | None | 10.1021/acs.jnatprod.8b00049 |