mollicellin C

CHEBI:68802 ·resolve ·ANTIPROTOZOAL ·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 9, a methoxy group at position 8, methyl groups at positions 1 and 6, a 3-methylbut-2-enoyl group at position 7, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense, it exhibits antimalarial 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:35618 CHEBI:35618
CHEBI:51689 CHEBI:51689
CHEBI:75939 CHEBI:75939
CHEBI:76224 CHEBI:76224

Chemical structure

Computed structure properties
Molecular formula	C22H20O8
Charge	0
Average mass	412.394 Da
Monoisotopic mass	412.11582 Da
Source	ChEBI
InChIKey	RPSLZGPKLQLZGH-UHFFFAOYSA-N

SMILES

[H]C(=O)c1c(O)cc(C)c2c1Oc1c(C)c(C(=O)C=C(C)C)c(OC)c(O)c1OC2=O

InChI

InChI=1S/C22H20O8/c1-9(2)6-14(25)16-11(4)18-21(17(26)20(16)28-5)30-22(27)15-10(3)7-13(24)12(8-23)19(15)29-18/h6-8,24,26H,1-5H3

Also called

3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(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.

cas:68436-82-8
chemspider:45522
hmdb:HMDB0033341
reaxys:19895967

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:68802`	mollicellin C	`antibioticmech:chebi-8a8c087890`	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.