celasdin B

CHEBI:65605 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A pentacyclic triterpenoid that is friedelin substituted by hydroxy groups at positions 16 and 28. It is isolated from the stems of Celastrus hindsii and exhibits anti-HIV activity. — 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:15734 CHEBI:15734
CHEBI:23824 CHEBI:23824
CHEBI:25872 CHEBI:25872
CHEBI:35681 CHEBI:35681
CHEBI:36130 CHEBI:36130

Chemical structure

Computed structure properties
Molecular formula	C30H50O3
Charge	0
Average mass	458.727 Da
Monoisotopic mass	458.376 Da
Source	ChEBI
InChIKey	ZGPGTQGECMDFNI-OJEITCFUSA-N

SMILES

[H][C@]12CC[C@]3(C)[C@@H](C)C(=O)CC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@]3([H])CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@]21C

InChI

InChI=1S/C30H50O3/c1-19-20(32)8-9-21-26(19,4)11-10-22-27(21,5)13-14-28(6)23-16-25(2,3)12-15-30(23,18-31)24(33)17-29(22,28)7/h19,21-24,31,33H,8-18H2,1-7H3/t19-,21+,22-,23-,24+,26+,27-,28-,29+,30+/m0/s1

Also called

(4R,4aS,6aS,6bR,8R,8aS,12aS,12bS,14aS,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4a,6b,11,11,12b,14a-heptamethylicosahydropicen-3(2H)-one (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:7660622

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:65605`	celasdin B	`antibioticmech:chebi-746a6695a5`	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.