7-deacetylgedunin

CHEBI:67296 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. — 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:24129 CHEBI:24129
CHEBI:25872 CHEBI:25872
CHEBI:32955 CHEBI:32955
CHEBI:36130 CHEBI:36130
CHEBI:39434 CHEBI:39434
CHEBI:51689 CHEBI:51689

Chemical structure

Computed structure properties
Molecular formula	C26H32O6
Charge	0
Average mass	440.536 Da
Monoisotopic mass	440.21989 Da
Source	ChEBI
InChIKey	HCEYJYMNIQHPPK-DXTZDJJUSA-N

SMILES

[H][C@]12CC[C@]3(C)[C@@]4(O[C@]4([H])C(=O)O[C@@]3([H])c3ccoc3)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)C(=O)C=C[C@]21C

InChI

InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19+,20-,23-,24+,25+,26-/m1/s1

Also called

(4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydronaphtho[2,1-f]oxireno[d]isochromene-3,8(4H,7aH)-dione (EXACT_SYNONYM)— chebi
(5α,7α,13α,14β,15β,17aα)-14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione (EXACT_SYNONYM)— chebi
7-deacetoxy-7α-hydroxygedunin (EXACT_SYNONYM)— chebi
deacetylgedunin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:10314-90-6
reaxys:5838176

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:67296`	7-deacetylgedunin	`antibioticmech:chebi-7ac1e6e574`	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.