bauhinoxepin A

CHEBI:65468 ·resolve ·ANTIMYCOBACTERIAL ·EXACT SEEDED

An organic heterotetracyclic compound that is 3H-chromeno[6,5-b][1]benzoxepine substituted by geminal methyl groups at position 3, a single methyl group at position 5 and hydroxy groups at positions 6 and 11. It is isolated from the roots of Bauhinia saccocalyx and exhibits antimycobacterial activity. — 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:26195 CHEBI:26195
CHEBI:37407 CHEBI:37407
CHEBI:38163 CHEBI:38163

Chemical structure

Computed structure properties
Molecular formula	C20H18O4
Charge	0
Average mass	322.36 Da
Monoisotopic mass	322.12051 Da
Source	ChEBI
InChIKey	BQFBLGBPUARBGM-UHFFFAOYSA-N

SMILES

Cc1c(O)c2c(c3c1OC(C)(C)C=C3)C=Cc1c(O)cccc1O2

InChI

InChI=1S/C20H18O4/c1-11-17(22)19-12(13-9-10-20(2,3)24-18(11)13)7-8-14-15(21)5-4-6-16(14)23-19/h4-10,21-22H,1-3H3

Also called

3,3,5-trimethyl-3H-chromeno[6,5-b][1]benzoxepine-6,11-diol (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:9794360

Activity roles

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

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:65468`	bauhinoxepin A	`antibioticmech:chebi-7279b4761b`	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.