bauhinoxepin I

CHEBI:65471 ·resolve ·ANTIMYCOBACTERIAL ·EXACT SEEDED

A dibenzooxepine that is 10,11-dihydrodibenzo[b,f]oxepine-1,4-dione substituted by a hydroxy, a methoxy and a methyl group at positions 8, 2 and 3 respectively. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal, anti-inflammatory 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:33853 CHEBI:33853
CHEBI:35618 CHEBI:35618
CHEBI:38926 CHEBI:38926

Chemical structure

Computed structure properties
Molecular formula	C16H14O5
Charge	0
Average mass	286.283 Da
Monoisotopic mass	286.08412 Da
Source	ChEBI
InChIKey	ATBQBNKWWGOEFJ-UHFFFAOYSA-N

SMILES

COC1=C(C)C(=O)C2=C(CCc3cc(O)ccc3O2)C1=O

InChI

InChI=1S/C16H14O5/c1-8-13(18)16-11(14(19)15(8)20-2)5-3-9-7-10(17)4-6-12(9)21-16/h4,6-7,17H,3,5H2,1-2H3

Also called

8-hydroxy-2-methoxy-3-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,4-dione (EXACT_SYNONYM)— chebi
5,6-dihydro-8-hydroxy-3-methoxy-1,4-dione-2-methyldibenz[b,f]-oxepin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:11175326

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:65471`	bauhinoxepin I	`antibioticmech:chebi-bbd232abe4`	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.