mollicellin J

CHEBI:68723 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic 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:17478 CHEBI:17478
CHEBI:26195 CHEBI:26195
CHEBI:26979 CHEBI:26979
CHEBI:36683 CHEBI:36683
CHEBI:75939 CHEBI:75939

Chemical structure

Computed structure properties
Molecular formula	C21H19ClO6
Charge	0
Average mass	402.83 Da
Monoisotopic mass	402.08702 Da
Source	ChEBI
InChIKey	NKSQSZYYPUIJDD-UHFFFAOYSA-N

SMILES

[H]C(=O)c1c(O)c(Cl)c(C)c2c1Oc1cc(O)c(CC=C(C)C)c(C)c1OC2=O

InChI

InChI=1S/C21H19ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7-8,24-25H,6H2,1-4H3

Also called

2-chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

chemspider:24660781
reaxys:15754562

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:68723`	mollicellin J	`antibioticmech:chebi-8cfd9c892b`	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.