samaderine E

CHEBI:66161 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A quassinoid isolated from Quassia indica and Samadera indica and has been shown to exhibit antimalarial and cytotoxic activities. — 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:26878 CHEBI:26878
CHEBI:33573 CHEBI:33573
CHEBI:35681 CHEBI:35681
CHEBI:37407 CHEBI:37407
CHEBI:38164 CHEBI:38164
CHEBI:51689 CHEBI:51689
CHEBI:72485 CHEBI:72485

Chemical structure

Computed structure properties
Molecular formula	C20H26O8
Charge	0
Average mass	394.42 Da
Monoisotopic mass	394.16277 Da
Source	ChEBI
InChIKey	MGGPOESVKAWHRB-KZOVRTNRSA-N

SMILES

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

InChI

InChI=1S/C20H26O8/c1-8-4-10(21)15(24)17(2)9(8)5-11-19-7-27-18(3,16(25)13(23)14(17)19)20(19,26)6-12(22)28-11/h4,9,11,13-16,23-26H,5-7H2,1-3H3/t9-,11+,13+,14+,15+,16-,17-,18+,19+,20+/m0/s1

Also called

(1β,11β,12α)-1,11,12,14-tetrahydroxy-13,20-epoxypicras-3-ene-2,16-dione (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:6668062

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:66161`	samaderine E	`antibioticmech:chebi-23eba4180b`	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.