(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid

CHEBI:141292 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A monocarboxylic acid that is propionic acid which is substituted at position 2 by a 4-methylcyclohex-3-en-1-yl group (the R,R stereoisomer). A secondary metabolite with antifungal activity obtained from the endophytic fungus Pestalotiopsis foedan, obtained from the branch of the upriver orange mangrove, Bruguiera sexangula. — 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.

Label unavailable CHEBI:25384
Label unavailable CHEBI:25409

Chemical structure

Computed structure properties
Molecular formula	C10H16O2
Charge	0
Average mass	168.236 Da
Monoisotopic mass	168.11503 Da
Source	ChEBI
InChIKey	QOGOGJNRMJOCKH-BDAKNGLRSA-N

SMILES

CC1=CC[C@H]([C@@H](C)C(=O)O)CC1

InChI

InChI=1S/C10H16O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,8-9H,4-6H2,1-2H3,(H,11,12)/t8-,9+/m1/s1

Also called

(+)-(4R,8R)-Δ1-p-menthen-9-carboxylic acid (EXACT_SYNONYM)— chebi
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propionic acid (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

reaxys:7014122

Activity roles

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

antifungal agent 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:141292`	(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid	`antibioticmech:chebi-bca084b3a0`	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 (YAML).

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