hellebrigenin

CHEBI:38344 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

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:131565 CHEBI:131565
CHEBI:26766 CHEBI:26766
CHEBI:36836 CHEBI:36836
CHEBI:36862 CHEBI:36862
CHEBI:38149 CHEBI:38149
CHEBI:38195 CHEBI:38195

Chemical structure

Computed structure properties
Molecular formula	C24H32O6
Charge	0
Average mass	416.514 Da
Monoisotopic mass	416.21989 Da
Source	ChEBI
InChIKey	TVKPTWJPKVSGJB-XHCIOXAKSA-N

SMILES

[H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])c3ccc(=O)oc3)[C@]1([H])CC[C@]1(O)C[C@@H](O)CC[C@@]12C=O

InChI

InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1

Also called

3β,5,14-trihydroxy-19-oxo-5β-bufa-20,22-dienolide (EXACT_SYNONYM)— chebi
(3β,5β)-3,5,14-trihydroxy-19-oxobufa-20,22-dienolide (EXACT_SYNONYM)— chebi
Bufotalidin (EXACT_SYNONYM)— chebi
Gellebrigenin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

beilstein:56259
cas:465-90-7
kegg.compound:C16969
knapsack:C00033905
lipidmaps:LMST01130004

Activity roles

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

CHEBI:70868 CHEBI:70868

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:38344`	hellebrigenin	`antibioticmech:chebi-1047960ade`	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.