samaderine X

CHEBI:66162 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A quassinoid isolated from Quassia indica and has been shown to exhibit antimalarial and cytotoxic activity. — 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.

CHEBI:18946 CHEBI:18946
CHEBI:2468 CHEBI:2468
CHEBI:27136 CHEBI:27136
CHEBI:35681 CHEBI:35681
CHEBI:37407 CHEBI:37407
CHEBI:38164 CHEBI:38164
CHEBI:47622 CHEBI:47622
CHEBI:51689 CHEBI:51689
CHEBI:72485 CHEBI:72485

Chemical structure

Computed structure properties
Molecular formula	C22H28O9
Charge	0
Average mass	436.457 Da
Monoisotopic mass	436.17333 Da
Source	ChEBI
InChIKey	PLUUPKMBPOFNDA-JEFQDFFJSA-N

SMILES

[H][C@]12[C@@H](O)[C@H](O)[C@@]3(C)OC[C@]14[C@@]3([H])[C@@H](OC(C)=O)C(=O)O[C@]4([H])C[C@@]1([H])C(C)=CC(=O)[C@@H](O)[C@]21C

InChI

InChI=1S/C22H28O9/c1-8-5-11(24)17(26)20(3)10(8)6-12-22-7-29-21(4,18(27)13(25)15(20)22)16(22)14(19(28)31-12)30-9(2)23/h5,10,12-18,25-27H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16-,17+,18-,20-,21-,22+/m0/s1

Also called

(1β,11β,12α,15β)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl acetate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:7669489

Activity roles

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

CHEBI:38068 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:66162`	samaderine X	`antibioticmech:chebi-40f5b32c6c`	2026-08-30

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.