vestitone

CHEBI:16786 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 2' and a methoxy 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:140183 CHEBI:140183
CHEBI:72739 CHEBI:72739
CHEBI:72740 CHEBI:72740

Chemical structure

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

SMILES

COc1ccc([C@@H]2COc3cc(O)ccc3C2=O)c(O)c1

InChI

InChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/t13-/m0/s1

Also called

(3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one (EXACT_SYNONYM)— chebi
(3R)-vestitol (EXACT_SYNONYM)— chebi
2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one (EXACT_SYNONYM)— chebi
7,2'-Dihydroxy-4'-methoxyisoflavanone (EXACT_SYNONYM)— chebi
Vestitone (EXACT_SYNONYM)— chebi
(3R)-vestitone (RELATED_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:158112-50-6
cas:66211-83-4
hmdb:HMDB0031620
kegg.compound:C00786
knapsack:C00002584
lipidmaps:LMPK12050462
metacyc.compound:VESTITONE
reaxys:19983204

Activity roles

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

CHEBI:33282 CHEBI:33282

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:16786`	vestitone	`antibioticmech:chebi-c4bbd97258`	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.