21β-hydroxyolean-12-en-3-one

CHEBI:66049 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A pentacyclic triterpenoid that is olean-12-ene substituted by an oxo substituent at position 3 and a β-hydroxy group at position 21. Isolated from the root barks of Hippocratea excelsa, it exhibits antigiardial activity. — 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:25872 CHEBI:25872
CHEBI:35681 CHEBI:35681
CHEBI:3992 CHEBI:3992

Chemical structure

Computed structure properties
Molecular formula	C30H48O2
Charge	0
Average mass	440.712 Da
Monoisotopic mass	440.36543 Da
Source	ChEBI
InChIKey	CYAGVDMNRPMVDV-ZMIVVTAWSA-N

SMILES

[H][C@]12CC=C3[C@]4([H])CC(C)(C)[C@@H](O)C[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C

InChI

InChI=1S/C30H48O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)18-24(25)32/h9,20-22,24,32H,10-18H2,1-8H3/t20-,21-,22+,24-,27-,28-,29+,30+/m0/s1

Also called

(21β)-21-hydroxyolean-12-en-3-one (EXACT_SYNONYM)— chebi
21β-hydroxy-β-amyrenone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:11223003

Activity roles

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

CHEBI:35820 CHEBI:35820

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:66049`	21β-hydroxyolean-12-en-3-one	`antibioticmech:chebi-10d018e78b`	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.