canophyllal

CHEBI:132345 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A pentacyclic triterpenoid with formula C30H48O2, originally isolated from the leaves of Syzygium formosanum. — 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:25872 CHEBI:25872
CHEBI:36130 CHEBI:36130
CHEBI:59768 CHEBI:59768

Chemical structure

Computed structure properties
Molecular formula	C30H48O2
Charge	0
Average mass	440.712 Da
Monoisotopic mass	440.36543 Da
Source	ChEBI
InChIKey	ONRNCDHSZVITNY-TWWFCBCGSA-N

SMILES

[H]C(=O)[C@]12CCC(C)(C)C[C@@]1([H])[C@]1(C)CC[C@]3(C)[C@]([H])(CC[C@]4(C)[C@@H](C)C(=O)CC[C@@]34[H])[C@@]1(C)CC2

InChI

InChI=1S/C30H48O2/c1-20-21(32)8-9-22-26(20,4)11-10-23-27(22,5)13-14-29(7)24-18-25(2,3)12-16-30(24,19-31)17-15-28(23,29)6/h19-20,22-24H,8-18H2,1-7H3/t20-,22+,23-,24-,26+,27-,28+,29-,30+/m0/s1

Also called

(4aS,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxoicosahydropicene-4a(2H)-carbaldehyde (EXACT_SYNONYM)— chebi
3-oxofriedelan-28-al (EXACT_SYNONYM)— chebi
friedelane-3-one-28-al (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:3110516

Activity roles

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

CHEBI:33282 CHEBI:33282

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:132345`	canophyllal	`antibioticmech:chebi-388a0d2ee7`	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.