samaderine B

CHEBI:66159 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A quassinoid isolated from Quassia indica and Samadera madagascariensis. It exhibits 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:2468 CHEBI:2468
CHEBI:25000 CHEBI:25000
CHEBI:35681 CHEBI:35681
CHEBI:35990 CHEBI:35990
CHEBI:37407 CHEBI:37407
CHEBI:38164 CHEBI:38164
CHEBI:51689 CHEBI:51689
CHEBI:72485 CHEBI:72485

Chemical structure

Computed structure properties
Molecular formula	C19H22O7
Charge	0
Average mass	362.378 Da
Monoisotopic mass	362.13655 Da
Source	ChEBI
InChIKey	CVLVYBSPYHCGGU-VQXUUFQGSA-N

SMILES

[H][C@@]12C(=O)O[C@@]3([H])[C@H](O)[C@@]4([H])[C@@]1(CO[C@@]23C)C(=O)C[C@@]1([H])C(C)=CC(=O)[C@@H](O)[C@]41C

InChI

InChI=1S/C19H22O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,11-15,22-23H,5-6H2,1-3H3/t8-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1

Also called

(1R,2S,5R,5aR,7aS,11S,11aS,11bR,14S)-1,11-dihydroxy-8,11a,14-trimethyl-1,7,7a,11,11a,11b-hexahydro-2H-2,5,5a-(methanetriyloxymethano)naphtho[1,2-d]oxepine-4,6,10(5H)-trione (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:6667806

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:66159`	samaderine B	`antibioticmech:chebi-91f3db5e7e`	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.