alisiaquinone B

CHEBI:65383 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A heteropentacyclic compound that is the 9-methoxy derivative of alisiaquinone A. An antiplasmodial drug isolated from New Caledonian deep water sponge. — 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:25830
Label unavailable CHEBI:38164
Label unavailable CHEBI:59780

Chemical structure

Computed structure properties
Molecular formula	C22H22O6
Charge	0
Average mass	382.412 Da
Monoisotopic mass	382.14164 Da
Source	ChEBI
InChIKey	FYMHBDYBAOKOHD-YSFYHYPLSA-N

SMILES

[H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4c(cc1C(=O)[C@]2(O)OC3)C(=O)C(OC)=CC4=O

InChI

InChI=1S/C22H22O6/c1-20-5-4-6-21(2)14-8-11-12(17(24)16(27-3)9-15(11)23)7-13(14)18(25)22(26,19(20)21)28-10-20/h7-9,19,26H,4-6,10H2,1-3H3/t19-,20-,21-,22+/m1/s1

Also called

(3aS,5aR,12bS,12cS)-5a-hydroxy-9-methoxy-3a,12b-dimethyl-2,3,3a,4,12b,12c-hexahydro-1H-tetrapheno[5,4-bc]furan-6,8,11(5aH)-trione (EXACT_SYNONYM)— chebi

Activity roles

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

antiplasmodial drug CHEBI:64915

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:65383`	alisiaquinone B	`antibioticmech:chebi-34d6bddb31`	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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