botrallin

CHEBI:141337 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An organic heterotricyclic compound that is 2,4a-dihydro-6H-benzo[c]chromen-6-one substituted by hydroxy groups at positions 1 and 7, an oxo group at position 2, methoxy groups at positions 3 and 9, and a methyl group at position 4a. It is isolated from Hyalodendriella species. — 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:18946 CHEBI:18946
CHEBI:26979 CHEBI:26979
CHEBI:33822 CHEBI:33822
CHEBI:33823 CHEBI:33823
CHEBI:35618 CHEBI:35618
CHEBI:38920 CHEBI:38920
CHEBI:47985 CHEBI:47985

Chemical structure

Computed structure properties
Molecular formula	C16H14O7
Charge	0
Average mass	318.281 Da
Monoisotopic mass	318.07395 Da
Source	ChEBI
InChIKey	WNZWXVOIYRJRSM-UHFFFAOYSA-N

SMILES

COC1=CC2(C)OC(=O)c3c(O)cc(OC)cc3C2=C(O)C1=O

InChI

InChI=1S/C16H14O7/c1-16-6-10(22-3)13(18)14(19)12(16)8-4-7(21-2)5-9(17)11(8)15(20)23-16/h4-6,17,19H,1-3H3

Also called

1,7-dihydroxy-3,9-dimethoxy-4a-methyl-4aH-benzo[c]chromene-2,6-dione (EXACT_SYNONYM)— chebi
1,7-dihydroxy-3,9-dimethoxy-4a-methylbenzo[c][1]benzopyran-2,6-dione (EXACT_SYNONYM)— chebi

Activity roles

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

CHEBI:33281 CHEBI:33281
CHEBI:35718 CHEBI:35718

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:141337`	botrallin	`antibioticmech:chebi-38bd85e66b`	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.