nomilin

CHEBI:7609 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A limonoid with formula C28H34O9. It is commonly found in edible citrus fruits including lemons, limes, oranges, and grapefruits. The compound exhibits a variety of biological and pharmacological activities including anticancer, antiinflammatory, antiobesity, and antiviral. — 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:24129 CHEBI:24129
CHEBI:25000 CHEBI:25000
CHEBI:25872 CHEBI:25872
CHEBI:32955 CHEBI:32955
CHEBI:38164 CHEBI:38164
CHEBI:39434 CHEBI:39434
CHEBI:47622 CHEBI:47622

Chemical structure

Computed structure properties
Molecular formula	C28H34O9
Charge	0
Average mass	514.571 Da
Monoisotopic mass	514.22028 Da
Source	ChEBI
InChIKey	KPDOJFFZKAUIOE-WNGDLQANSA-N

SMILES

[H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C

InChI

InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1

Also called

(5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(furan-3-yl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl acetate (EXACT_SYNONYM)— chebi
(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-11-(acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione (EXACT_SYNONYM)— chebi
1-(acetyloxy)-1,2-dihydro-obacunoic acid ε-lactone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:1063-77-0
kegg.compound:C08773
knapsack:C00003722
pdb-ccd:G3L

Activity roles

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

CHEBI:64947 CHEBI:64947

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:7609`	nomilin	`antibioticmech:chebi-de353f7d0b`	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.