caesalpinin F

CHEBI:65541 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A tetracyclic diterpenoid isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial 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:25248 CHEBI:25248
CHEBI:26878 CHEBI:26878
CHEBI:37407 CHEBI:37407
CHEBI:47622 CHEBI:47622
CHEBI:52557 CHEBI:52557

Chemical structure

Computed structure properties
Molecular formula	C23H30O7
Charge	0
Average mass	418.486 Da
Monoisotopic mass	418.19915 Da
Source	ChEBI
InChIKey	FGVVZVPAVGZHMX-SHLUOHGRSA-N

SMILES

[H][C@]12Cc3occc3[C@@H](C(=O)OC)[C@]1([H])C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CCC(=O)[C@]21C

InChI

InChI=1S/C23H30O7/c1-12(24)30-18-10-14-15(11-16-13(7-9-29-16)19(14)20(26)28-5)22(4)17(25)6-8-21(2,3)23(18,22)27/h7,9,14-15,18-19,27H,6,8,10-11H2,1-5H3/t14-,15+,18+,19-,22+,23-/m1/s1

Also called

methyl (4aR,5S,6aR,7S,11aS,11bR)-5-(acetyloxy)-4a-hydroxy-4,4,11b-trimethyl-1-oxo-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carboxylate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:10726765

Activity roles

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

CHEBI:38068 CHEBI:38068

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:65541`	caesalpinin F	`antibioticmech:chebi-af97581dd9`	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.