protoaphin aglucone

CHEBI:15795 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

The aglycone of protaphin, a yellow hydroxylated quinoid pigment found in aphids. — 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:22888 CHEBI:22888
CHEBI:25830 CHEBI:25830
CHEBI:33853 CHEBI:33853
CHEBI:48129 CHEBI:48129

Chemical structure

Computed structure properties
Molecular formula	C30H28O11
Charge	0
Average mass	564.543 Da
Monoisotopic mass	564.16316 Da
Source	ChEBI
InChIKey	KLZOEWZFKUESNU-UYFDZFGUSA-N

SMILES

C[C@H]1O[C@H](C)[C@@H](O)C2=C1C(=O)c1c(O)cc(O)c(-c3c4c(c(O)c5c(O)cc(O)cc35)[C@@H](C)O[C@H](C)[C@H]4O)c1C2=O

InChI

InChI=1S/C30H28O11/c1-8-17-23(26(35)10(3)40-8)20(13-5-12(31)6-14(32)19(13)28(17)37)21-15(33)7-16(34)22-24(21)30(39)25-18(29(22)38)9(2)41-11(4)27(25)36/h5-11,26-27,31-37H,1-4H3/t8-,9-,10-,11-,26-,27-/m1/s1

Also called

(1R,1'R,3R,3'R,4S,4'S)-4,4',7,7',9,9',10-heptahydroxy-1,1',3,3'-tetramethyl-3,3',4,4'-tetrahydro-1H,1'H-5,6'-binaphtho[2,3-c]pyran-5',10'-dione (EXACT_SYNONYM)— chebi
Protoaphin aglucone (EXACT_SYNONYM)— chebi
protaphin aglucone (EXACT_SYNONYM)— chebi
protaphin aglycone (EXACT_SYNONYM)— chebi
protoaphin aglycone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

kegg.compound:C02879

Activity roles

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

CHEBI:33281 CHEBI:33281

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:15795`	protoaphin aglucone	`antibioticmech:chebi-ec72b10549`	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.