(+)-phytocassane C

CHEBI:72668 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A phytocassane that is ent-podocarp-12-ene-11-one carrying two α-hydroxy substituents at positions 1 and 3 as well as vinyl and β-methyl substituents at positions 13 and 14, 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.

CHEBI:139395 CHEBI:139395
CHEBI:23824 CHEBI:23824

Chemical structure

Computed structure properties
Molecular formula	C20H30O3
Charge	0
Average mass	318.457 Da
Monoisotopic mass	318.21949 Da
Source	ChEBI
InChIKey	YQESGDRIAQDEQE-ONNBHGNJSA-N

SMILES

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

InChI

InChI=1S/C20H30O3/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/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,18+,20+/m1/s1

Also called

1α,3α-dihydroxy-14β-methyl-13-vinyl-5β,8α,9β,10α-podocarp-12-en-11-one (EXACT_SYNONYM)— chebi
(1S,4aR,4bR,5S,7R,8aR,10aR)-5,7-dihydroxy-1,4b,8,8-tetramethyl-2-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one (EXACT_SYNONYM)— chebi
(1S,4aR,4bR,5S,7R,8aR,10aR)-5,7-dihydroxy-2-ethenyl-1,4b,8,8-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one (EXACT_SYNONYM)— chebi
(1α,3α,5β,8α,9β,10α,14β)-1,3-dihydroxy-14-methyl-13-vinylpodocarp-12-en-11-one (EXACT_SYNONYM)— chebi
phytocassane C (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

hmdb:HMDB0041058
reaxys:15793550

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:72668`	(+)-phytocassane C	`antibioticmech:chebi-8bb0cf77d8`	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.