pseudobaptigenin
CHEBI:8602
·resolve ·ANTIPROTOZOAL
·EXACT
SEEDED
A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. — 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.
Chemical structure
Computed structure properties
| Molecular formula | C16H10O5 |
|---|
| Charge | 0 |
|---|
| Average mass | 282.251 Da |
|---|
| Monoisotopic mass | 282.05282 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | KNJNBKINYHZUGC-UHFFFAOYSA-N |
|---|
SMILES
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12
InChI
InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
Also called
- 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one (EXACT_SYNONYM)— chebi
- 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one (EXACT_SYNONYM)— chebi
- 7-hydroxy-3',4'-(methylenedioxy)isoflavone (EXACT_SYNONYM)— chebi
- pseudobaptisin aglycone (EXACT_SYNONYM)— chebi
- ψ-baptigenin (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:90-29-9
- hmdb:HMDB0036616
- kegg.compound:C10522
- knapsack:C00002565
- lipidmaps:LMPK12050053
- metacyc.compound:CPD-3628
- patent:WO9949862
- reaxys:290453
- wikipedia.en:Pseudobaptigenin
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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:8602 |
pseudobaptigenin |
antibioticmech:chebi-6e27aa668c |
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.