Hinduchelin A
AlkaPlorer ID: AK114855
Synonym: None
IUPAC Name: 2-(2,3-dimethoxyphenyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
Structure
SMILES: COC1=CC=CC(C2=NC(C(O)=NC[C@@H](O)C3=CC=CC=C3)=C(C)O2)=C1OC
InChI: InChI=1S/C21H22N2O5/c1-13-18(20(25)22-12-16(24)14-8-5-4-6-9-14)23-21(28-13)15-10-7-11-17(26-2)19(15)27-3/h4-11,16,24H,12H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKey: XLYCPINEMIZSEN-MRXNPFEDSA-N
Reference
Hinduchelins A–D, Noncytotoxic Catechol Derivatives from <i>Streptoalloteichus hindustanus</i>
PubChem CID: 139590038
LOTUS: LTS0272882
NPASS: NPC485754
{NPAtlas: NPA022702
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？: 3.705420000000002
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 |