bauhinoxepin J

CHEBI:65472 ·resolve ·ANTIMYCOBACTERIAL ·EXACT SEEDED

A dibenzooxepine that is 10,11-dihydrodibenzo[b,f]oxepine-1,4-dione substituted by a methoxy group at position 2. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal 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:25830 CHEBI:25830
CHEBI:35618 CHEBI:35618
CHEBI:38926 CHEBI:38926

Chemical structure

Computed structure properties
Molecular formula	C15H12O4
Charge	0
Average mass	256.257 Da
Monoisotopic mass	256.07356 Da
Source	ChEBI
InChIKey	LAAFMXBDDPXIKZ-UHFFFAOYSA-N

SMILES

COC1=CC(=O)C2=C(CCc3ccccc3O2)C1=O

InChI

InChI=1S/C15H12O4/c1-18-13-8-11(16)15-10(14(13)17)7-6-9-4-2-3-5-12(9)19-15/h2-5,8H,6-7H2,1H3

Also called

2-methoxy-10,11-dihydrodibenzo[b,f]oxepine-1,4-dione (EXACT_SYNONYM)— chebi
5,6-dihydro-3-methoxy-1,4-dionedibenz[b,f]oxepin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:11175327

Activity roles

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

CHEBI:35718 CHEBI:35718
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:65472`	bauhinoxepin J	`antibioticmech:chebi-f907b39b74`	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.