mollicellin K

CHEBI:68724 ·resolve ·ANTIMYCOBACTERIAL ·EXACT SEEDED

A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial, antimycobacterial and cytotoxic activities. — 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:51689 CHEBI:51689
CHEBI:75939 CHEBI:75939
CHEBI:76224 CHEBI:76224

Chemical structure

Computed structure properties
Molecular formula	C21H18O7
Charge	0
Average mass	382.368 Da
Monoisotopic mass	382.10525 Da
Source	ChEBI
InChIKey	GRJLKDCRKHDXSZ-UHFFFAOYSA-N

SMILES

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

InChI

InChI=1S/C21H18O7/c1-9(2)5-14(24)18-11(4)19-16(7-15(18)25)27-20-12(8-22)13(23)6-10(3)17(20)21(26)28-19/h5-8,23,25H,1-4H3

Also called

3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-enoyl)-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:24676109
reaxys:19895966

Activity roles

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

CHEBI:38068 CHEBI:38068
CHEBI:64912 CHEBI:64912

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:68724`	mollicellin K	`antibioticmech:chebi-86e6d0dbef`	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.