(+)-phytocassane B

CHEBI:72666 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A phytocassane that is (+)-phytocassane C which has been substituted with an additional hydroxy group at the 2α position. — 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:27136 CHEBI:27136

Chemical structure

Computed structure properties
Molecular formula	C20H30O4
Charge	0
Average mass	334.456 Da
Monoisotopic mass	334.21441 Da
Source	ChEBI
InChIKey	XFRCVLKGZMPUFQ-SUIMNPQMSA-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@H](O)[C@H](O)[C@@]21C

InChI

InChI=1S/C20H30O4/c1-6-11-9-13(21)15-12(10(11)2)7-8-14-19(3,4)17(23)16(22)18(24)20(14,15)5/h6,9-10,12,14-18,22-24H,1,7-8H2,2-5H3/t10-,12-,14-,15+,16+,17-,18+,20-/m1/s1

Also called

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

Cross-references

Equivalent identifiers for this same structure in other resources.

hmdb:HMDB0041055
reaxys:15793552

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:72666`	(+)-phytocassane B	`antibioticmech:chebi-2739542c86`	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.