pedunculosumoside C

CHEBI:67875 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A homoflavonoid glycoside that is 5'-prenylophioglonol attached to 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl residue at position 7 via glycosidic linkage. It has been isolated from the whole plant of Ophioglossum pedunculosum and exhibits anti-HBV 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:22798 CHEBI:22798
CHEBI:63353 CHEBI:63353
CHEBI:76404 CHEBI:76404
CHEBI:76405 CHEBI:76405

Chemical structure

Computed structure properties
Molecular formula	C33H40O17
Charge	0
Average mass	708.666 Da
Monoisotopic mass	708.22655 Da
Source	ChEBI
InChIKey	ZDGISMQFYIDRSP-KZGGGLRYSA-N

SMILES

[H][C@@]1(O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(CO)c(-c5cc(O)c(O)c(CC=C(C)C)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)23(13)39)30-16(9-34)24(40)22-17(37)7-15(8-19(22)47-30)46-33-31(28(44)26(42)21(11-36)49-33)50-32-29(45)27(43)25(41)20(10-35)48-32/h3,5-8,20-21,25-29,31-39,41-45H,4,9-11H2,1-2H3/t20-,21-,25-,26-,27+,28+,29-,31-,32+,33-/m1/s1

Also called

2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside (EXACT_SYNONYM)— chebi
5'-(3-methyl-2-buten-1-yl)ophioglonol 7-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:21523326

Activity roles

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

CHEBI:64951 CHEBI:64951

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:67875`	pedunculosumoside C	`antibioticmech:chebi-b30cf66bae`	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.