AntibioticMech

isatinone B

CHEBI:66088 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An indole alkaloid isolated from Isatis costata and exhibits antifungal activity. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:24829 CHEBI:24829
• CHEBI:33308 CHEBI:33308
• CHEBI:38958 CHEBI:38958
• CHEBI:47985 CHEBI:47985

Chemical structure

Computed structure properties

Molecular formula	C31H33NO4
Charge	0
Average mass	483.608 Da
Monoisotopic mass	483.24096 Da
Source	ChEBI
InChIKey	DGWRIHOXTOJRIO-QVIHXGFCSA-N

SMILES

CCCCC(CC)COC(=O)Cc1ccc(O/C(=C2/C(=O)Nc3ccccc32)c2ccccc2)cc1

InChI

InChI=1S/C31H33NO4/c1-3-5-11-22(4-2)21-35-28(33)20-23-16-18-25(19-17-23)36-30(24-12-7-6-8-13-24)29-26-14-9-10-15-27(26)32-31(29)34/h6-10,12-19,22H,3-5,11,20-21H2,1-2H3,(H,32,34)/b30-29+

Also called

• 2-ethylhexyl (4-{[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)(phenyl)methyl]oxy}phenyl)acetate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• reaxys:10732684

Activity roles

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

• 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:66088	isatinone B	antibioticmech:chebi-f1254fb81f	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.