triptonine B

CHEBI:66277 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A sesquiterpene alkaloid with anti-HIV activity isolated from Tripterygium hypoglaucum. — 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:26421 CHEBI:26421
CHEBI:26657 CHEBI:26657
CHEBI:37668 CHEBI:37668
CHEBI:47622 CHEBI:47622
CHEBI:63944 CHEBI:63944

Chemical structure

Computed structure properties
Molecular formula	C45H55NO22
Charge	0
Average mass	961.92 Da
Monoisotopic mass	961.32157 Da
Source	ChEBI
InChIKey	GSBZVVMZYQMZBG-XMOOUNKUSA-N

SMILES

[H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cnccc1C(C)C(C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]31COC(=O)C(CC(=O)OC)C(=O)CCC(C)C(=O)O[C@H]2[C@H]1OC(C)=O)[C@]4(C)O

InChI

InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19?,20?,26?,30-,31-,32+,33-,34+,35-,36+,41+,42?,43+,44-,45+/m1/s1

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:168009-85-6
reaxys:8305955

Activity roles

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

CHEBI:64946 CHEBI:64946

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:66277`	triptonine B	`antibioticmech:chebi-961526f85c`	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.