norcaesalpinin D

CHEBI:65544 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A 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.

Label unavailable CHEBI:23849
Label unavailable CHEBI:26878
Label unavailable CHEBI:37407
Label unavailable CHEBI:47622
Label unavailable CHEBI:51689
Label unavailable CHEBI:76224

Chemical structure

Computed structure properties
Molecular formula	C25H32O9
Charge	0
Average mass	476.522 Da
Monoisotopic mass	476.20463 Da
Source	ChEBI
InChIKey	SJZIFWGVHGVKAH-AVZLBZSXSA-N

SMILES

[H][C@]12Cc3occc3C(=O)[C@]1([H])CC[C@@]1(O)C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]21C

InChI

InChI=1S/C25H32O9/c1-12(26)32-20-21(33-13(2)27)23(4,5)25(30)9-7-15-17(24(25,6)22(20)34-14(3)28)11-18-16(19(15)29)8-10-31-18/h8,10,15,17,20-22,30H,7,9,11H2,1-6H3/t15-,17+,20+,21-,22+,24+,25-/m1/s1

Also called

(1R,2S,3S,4aR,6aR,11aS,11bS)-4a-hydroxy-4,4,11b-trimethyl-7-oxo-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,2,3-triyl triacetate (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

reaxys:10735337

Activity roles

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

antimalarial 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:65544`	norcaesalpinin D	`antibioticmech:chebi-b190eaeb69`	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 (YAML).

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