Hinduchelin B
AlkaPlorer ID: AK114866
Synonym: None
IUPAC Name: 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
Structure
SMILES: COC1=CC=CC(C2=NC(C(O)=NCCC3=CC=CC=C3O)=C(C)O2)=C1OC
InChI: InChI=1S/C21H22N2O5/c1-13-18(20(25)22-12-11-14-7-4-5-9-16(14)24)23-21(28-13)15-8-6-10-17(26-2)19(15)27-3/h4-10,24H,11-12H2,1-3H3,(H,22,25)
InChIKey: JAOSYQCRISHFFL-UHFFFAOYSA-N
Reference
Hinduchelins A–D, Noncytotoxic Catechol Derivatives from <i>Streptoalloteichus hindustanus</i>
PubChem CID: 139590039
LOTUS: LTS0224411
NPASS: NPC485755
COCONUT: CNP0072957
{NPAtlas: NPA022703
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 382.41600000000017
TPSA？: 97.31
MolLogP？: 3.9201200000000025
Number of H-Donors: 2
Number of H-Acceptors: 6
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 |