caseargrewiin C

CHEBI:65594 ·resolve ·ANTIMYCOBACTERIAL ·EXACT SEEDED

A diterpenoid of the clerodane group isolated from the bark of Casearia grewiifolia and has been shown to exhibit antimalarial and antimycobacterial 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:23849 CHEBI:23849
CHEBI:26979 CHEBI:26979
CHEBI:37407 CHEBI:37407
CHEBI:47622 CHEBI:47622

Chemical structure

Computed structure properties
Molecular formula	C31H44O10
Charge	0
Average mass	576.683 Da
Monoisotopic mass	576.29345 Da
Source	ChEBI
InChIKey	FKSLEDQKNYSZPO-BQLSBOTOSA-N

SMILES

[H][C@@]12C[C@@H](OC(=O)CC(C)C)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]31[C@@H](O)[C@H](OC(C)=O)[C@@H](C)[C@@]2(C)C/C=C(/C)C=C

InChI

InChI=1S/C31H44O10/c1-10-17(4)11-12-30(9)18(5)26(37-19(6)32)27(36)31-23(28(38-20(7)33)41-29(31)39-21(8)34)14-22(15-24(30)31)40-25(35)13-16(2)3/h10-11,14,16,18,22,24,26-29,36H,1,12-13,15H2,2-9H3/b17-11-/t18-,22+,24+,26-,27+,28+,29-,30-,31-/m1/s1

Also called

(1S*,3R*,5R*,6aS*,7S*,8S*,9R*,10R*,10aS*)-1,3,9-tris(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2Z)-3-methylpenta-2,4-dien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 3-methylbutanoate (EXACT_SYNONYM)— chebi
rel-(2R,5S,6R,7R,8S,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-(3-methylbutanoyloxy)-6-hydroxy-7-acetoxycleroda-3,12(Z),14-triene (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:15803801

Activity roles

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

CHEBI:38068 CHEBI:38068
CHEBI:64912 CHEBI:64912

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:65594`	caseargrewiin C	`antibioticmech:chebi-4a7bfbaa6f`	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.