caesalpinin D

CHEBI:65540 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A diterpenoid lactone 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:26878 CHEBI:26878
CHEBI:37407 CHEBI:37407
CHEBI:47622 CHEBI:47622
CHEBI:49193 CHEBI:49193

Chemical structure

Computed structure properties
Molecular formula	C24H30O8
Charge	0
Average mass	446.496 Da
Monoisotopic mass	446.19407 Da
Source	ChEBI
InChIKey	QAYOIGPJKWWLOT-WXRFRXGMSA-N

SMILES

[H][C@@]12Cc3occc3[C@@]3([H])C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@@]4(O)C(C)(C)CC[C@H](OC(C)=O)[C@]14C)[C@]23[H]

InChI

InChI=1S/C24H30O8/c1-11(25)30-16-6-8-22(3,4)24(28)20(31-12(2)26)19-18-14(23(16,24)5)10-15-13(7-9-29-15)17(18)21(27)32-19/h7,9,14,16-20,28H,6,8,10H2,1-5H3/t14-,16-,17+,18+,19+,20-,23-,24+/m0/s1

Also called

(3bS,5aR,6S,6aR,10S,10aS,10bS,10cR)-6a-hydroxy-7,7,10a-trimethyl-4-oxo-3b,5a,6,6a,7,8,9,10,10a,10b,10c,11-dodecahydro-4H-phenanthro[3,2-b:10,1-b'c']difuran-6,10-diyl diacetate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:10734902

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:65540`	caesalpinin D	`antibioticmech:chebi-b60a5b3057`	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.