triptonine A

CHEBI:66276 ·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	C45H55NO21
Charge	0
Average mass	945.921 Da
Monoisotopic mass	945.32666 Da
Source	ChEBI
InChIKey	GHLDKPNDMMVFDQ-OFWWAFBUSA-N

SMILES

[H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]31COC(=O)[C@H](CC(=O)OC)C(=O)CC[C@H](C)C(=O)O[C@H]2[C@H]1OC(C)=O)[C@]4(C)O

InChI

InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20+,21-,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:168009-84-5
reaxys:8306033

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:66276`	triptonine A	`antibioticmech:chebi-b9b24c3bd7`	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.