(+)-phytocassane A

CHEBI:72664 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A phytocassane that is ent-podocarp-12-ene-3,11-dione carrying additional hydroxy, vinyl and methyl substituents at the 2α, 13 and 14 positions, respectively. — 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.

phytocassane CHEBI:139395
Label unavailable CHEBI:2468
Label unavailable CHEBI:46640

Chemical structure

Computed structure properties
Molecular formula	C20H28O3
Charge	0
Average mass	316.441 Da
Monoisotopic mass	316.20384 Da
Source	ChEBI
InChIKey	XVEOIKIXOSKAFL-BJASISCMSA-N

SMILES

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

InChI

InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,20-/m1/s1

Also called

2α-hydroxy-14β-methyl-13-vinyl-5β,8α,9β,10α-podocarp-12-ene-3,11-dione (EXACT_SYNONYM)— chebi
(2α,5β,8α,9β,10α,14β)-2-hydroxy-14-methyl-13-vinylpodocarp-12-ene-3,11-dione (EXACT_SYNONYM)— chebi
(3R,4aR,4bR,8S,8aR,10aS)-3-hydroxy-1,1,4a,8-tetramethyl-7-vinyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydrophenanthrene-2,5-dione (EXACT_SYNONYM)— chebi
ent-2β-hydroxy-12,15-cassadiene-3,11-dione (EXACT_SYNONYM)— chebi
phytocassane A (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

metacyc.compound:CPD-7094
reaxys:8509348

Activity roles

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

antifungal agent CHEBI:35718

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:72664`	(+)-phytocassane A	`antibioticmech:chebi-5e9cdedec9`	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 (YAML).

Explore across X-Mech: MediaIngredientMech ((+)-phytocassane A) · CultureMech · NaturalProductMech · PathwayMech · TraitMech