sch 210971

CHEBI:68748 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A member of the class of pyrrolidin-2-ones isolated from the fungal fermentation broth of Chaetomium globosum and shown to exhibit inhibitory activity against chemokine receptor CCR-5. — 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:138397 CHEBI:138397
CHEBI:25384 CHEBI:25384
CHEBI:33823 CHEBI:33823
CHEBI:36785 CHEBI:36785
CHEBI:74223 CHEBI:74223

Chemical structure

Computed structure properties
Molecular formula	C25H35NO6
Charge	0
Average mass	445.556 Da
Monoisotopic mass	445.24644 Da
Source	ChEBI
InChIKey	AVZATKWNGXCSDN-UPZXKQCMSA-N

SMILES

[H][C@]12[C@H](/C(O)=C3/C(=O)N[C@H](C[C@](C)(O)C(=O)O)C3=O)[C@]([H])(/C(C)=C/C)C=C[C@]1([H])C[C@H](C)C[C@]2([H])C

InChI

InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20-/t12-,14+,15-,16+,17-,18-,19-,25+/m1/s1

Also called

rel-(2S)-3-{(2R,4Z)-4-[{(1S,2R,4aS,6R,8S,8aR)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(hydroxy)methylene]-3,5-dioxopyrrolidin-2-yl}-2-hydroxy-2-methylpropanoic acid (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

chemspider:28283529
reaxys:18561653

Activity roles

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

CHEBI:35718 CHEBI:35718

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:68748`	sch 210971	`antibioticmech:chebi-5e28ba43dc`	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.