caseargrewiin A

CHEBI:65592 ·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	C30H44O8
Charge	0
Average mass	532.674 Da
Monoisotopic mass	532.30362 Da
Source	ChEBI
InChIKey	OSFRHUJJEKKRCH-GTMUTZHESA-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](OC)C[C@H](C)[C@]2(C)CCC(=C)C=C

InChI

InChI=1S/C30H44O8/c1-10-18(4)11-12-29(8)19(5)14-25(34-9)30-23(27(35-20(6)31)38-28(30)36-21(7)32)15-22(16-24(29)30)37-26(33)13-17(2)3/h10,15,17,19,22,24-25,27-28H,1,4,11-14,16H2,2-3,5-9H3/t19-,22+,24+,25+,27+,28-,29-,30-/m0/s1

Also called

(1R*,3S*,5S*,6aR*,7S*,8S*,10R*,10aR*)-1,3-bis(acetyloxy)-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 3-methylbutanoate (EXACT_SYNONYM)— chebi
rel-(2S,5R,6R,8S,9S,10R,18S,19R)-18,19-diacetoxy-18,19-epoxy-6-methoxy-2-(3-methylbutanoyloxy)-cleroda-3,13(16),14-triene (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:15803799

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:65592`	caseargrewiin A	`antibioticmech:chebi-114c1fbce5`	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.