AntibioticMech

mollicellin E

CHEBI:68803 ·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 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

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:36683 CHEBI:36683
• CHEBI:51689 CHEBI:51689
• CHEBI:75939 CHEBI:75939
• CHEBI:76224 CHEBI:76224

Chemical structure

Computed structure properties

Molecular formula	C22H19ClO8
Charge	0
Average mass	446.839 Da
Monoisotopic mass	446.07685 Da
Source	ChEBI
InChIKey	JTGLZOMMRQOKBM-UHFFFAOYSA-N

SMILES

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

InChI

InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3

Also called

• 2-chloro-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:68455-10-7
• chemspider:45523
• hmdb:HMDB0033342
• reaxys:19895971

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:68803	mollicellin E	antibioticmech:chebi-41655de068	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.