(+)-phytocassane E

CHEBI:72675 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A phytocassane that is (+)-phytocassane C in which the hydroxy group at position 3 has been oxidised to the give corresponding ketone. — 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:139395 CHEBI:139395
CHEBI:46640 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	MMRGGLJWHXYKLZ-NEYRYYQWSA-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[C@H](O)[C@@]21C

InChI

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

Also called

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

Activity roles

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

CHEBI:35718 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:72675`	(+)-phytocassane E	`antibioticmech:chebi-0d5ac1a090`	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.