vobasine

CHEBI:10015 ·resolve ·ANTIVIRAL ·EXACT SEEDED

An indole alkaloid that is vobasan in which the bridgehead methyl group is substituted by a methoxycarbonyl group and an additional oxo substituent is present in the 3-position. — 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:25248 CHEBI:25248
CHEBI:38163 CHEBI:38163
CHEBI:38481 CHEBI:38481
CHEBI:38958 CHEBI:38958
CHEBI:3992 CHEBI:3992

Chemical structure

Computed structure properties
Molecular formula	C21H24N2O3
Charge	0
Average mass	352.434 Da
Monoisotopic mass	352.17869 Da
Source	ChEBI
InChIKey	TYPMTMPLTVSOBU-XJHWFDBESA-N

SMILES

[H]/C(C)=C1\CN(C)[C@@]2([H])Cc3c(nc4ccccc34)C(=O)C[C@]1([H])[C@]2([H])C(=O)OC

InChI

InChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17-,19-/m0/s1

Also called

methyl 3-oxovobasan-17-oate (EXACT_SYNONYM)— chebi
3-oxovobasan-17-oic acid, methyl ester (EXACT_SYNONYM)— chebi
Vobasine (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

beilstein:95955
cas:2134-83-0
kegg.compound:C09253
knapsack:C00001786
patent:US2007232588

Activity roles

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

CHEBI:22587 CHEBI:22587

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:10015`	vobasine	`antibioticmech:chebi-67f37b868d`	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.