preaustinoid A

CHEBI:69023 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A meroterpenoid found in Penicillium rubrum. — 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:139592 CHEBI:139592
CHEBI:26878 CHEBI:26878
CHEBI:33308 CHEBI:33308
CHEBI:35294 CHEBI:35294
CHEBI:36130 CHEBI:36130
CHEBI:64419 CHEBI:64419

Chemical structure

Computed structure properties
Molecular formula	C26H36O6
Charge	0
Average mass	444.568 Da
Monoisotopic mass	444.25119 Da
Source	ChEBI
InChIKey	IRPHRMHQEPXQQF-RFMSQVAGSA-N

SMILES

[H][C@@]12C[C@]3(C)C(=C)[C@@](C(=O)OC)(C(=O)[C@@](C)(O)C3=O)[C@@]1(C)CC[C@]1([H])C(C)(C)C(=O)CC[C@@]21C

InChI

InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1

Also called

methyl (4aS,6aS,7R,9S,11R,12aS,12bS)-9-hydroxy-4,4,6a,9,11,12b-hexamethyl-13-methylidene-3,8,10-trioxotetradecahydro-7,11-methanocycloocta[a]naphthalene-7(2H)-carboxylate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:9304223

Activity roles

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

CHEBI:33282 CHEBI:33282

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:69023`	preaustinoid A	`antibioticmech:chebi-af3e89f3c3`	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.