emetine dihydrochloride hydrate

CHEBI:146000 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A hydrate that is the monohydrate of the dihydrochloride salt of emetine. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:35505
Label unavailable CHEBI:36807

Chemical structure

Computed structure properties
Molecular formula	C29H40N2O4.H2O.2HCl
Charge	0
Average mass	571.586 Da
Monoisotopic mass	570.26273 Da
Source	ChEBI
InChIKey	IZTPMTAWOCEKKM-VXMYZLRESA-N

SMILES

Cl.Cl.O.[H][C@]1(C[C@@]2([H])NCCc3cc(OC)c(OC)cc32)C[C@@]2([H])c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC

InChI

InChI=1S/C29H40N2O4.2ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H;1H2/t18-,21-,24+,25-;;;/m0.../s1

Also called

(2S)-6',7',10,11-tetramethoxyemetan dihydrochloride—water (1/1) (EXACT_SYNONYM)— chebi
(2S)-6',7',10,11-tetramethoxyemetan dihydrochloride hydrate (EXACT_SYNONYM)— chebi
(2S)-6',7',10,11-tetramethoxyemetan-2',5-diium dichloride—water (1/1) (EXACT_SYNONYM)— chebi
emetine dihydrochloride monohydrate (EXACT_SYNONYM)— chebi
emetine hydrochloride hydrate (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:7083-71-8
reaxys:5216794

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

anticoronaviral agent CHEBI:149553
antiviral agent CHEBI:22587
antiprotozoal drug CHEBI:35820
antimalarial CHEBI:38068

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:146000`	emetine dihydrochloride hydrate	`antibioticmech:chebi-c037f39f05`	2026-08-30

Mechanism summary

Mode of action: PROTEIN_SYNTHESIS_INHIBITION host shared target — Assigned from ChEBI role CHEBI:48001 (protein synthesis inhibitor). ChEBI asserts the role on the compound. The target it names is one the host has too, so the mechanism is true but is not evidence of selectivity — see mode_of_action_target_scope. Not a curator's mechanistic review.

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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