4-hydroxymellein

CHEBI:141335 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An isochromane that is mellein bearing a hydroxy group at position 4. — 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:33853 CHEBI:33853
CHEBI:38762 CHEBI:38762

Chemical structure

Computed structure properties
Molecular formula	C10H10O4
Charge	0
Average mass	194.186 Da
Monoisotopic mass	194.05791 Da
Source	ChEBI
InChIKey	STSOHAOGZMLWFR-UHFFFAOYSA-N

SMILES

CC1OC(=O)c2c(O)cccc2C1O

InChI

InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3

Also called

4,8-dihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one (EXACT_SYNONYM)— chebi
3-methyl-4,8-dihydroxy-3,4-dihydroisocoumarin (EXACT_SYNONYM)— chebi
4,8-dihydroxy-3-methylbenzopyran-1-one (EXACT_SYNONYM)— chebi
4,8-dihydroxy-3-methylisochroman-1-one (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:33788-22-6
knapsack:C00000119
patent:US5185023
reaxys:1285737

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:141335`	4-hydroxymellein	`antibioticmech:chebi-2699c95659`	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.