Research chemical
CAS Number: 112649-21-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
10298511
Exact Mass
464.219889
InChIKey
WVJYEKGQSBGNRP-UHFFFAOYSA-N
IUPAC Name
2,3,6,8-tetrahydroxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-one
SMILES String
CC(C)=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Garcinone E is identified by CAS 112649-21-5, with molecular formula C28H32O6, molecular weight 464.5, InChIKey WVJYEKGQSBGNRP-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Microtubule-associated protein tau, Nuclear receptor ROR-gamma, Aromatase, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
34
H-bond acceptors
6
H-bond donors
4
Rotatable bonds
6
Ring count
3
Aromatic rings
3
Topological polar surface area
111.13 Ų
Computed LogP
6.29
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Garcinone E (CAS 112649-21-5) is maintained as a commercial cas reference with formula C28H32O6, molecular weight 464. 50 g/mol, PubChem CID 10298511.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Microtubule-associated protein tau (Homo sapiens) — 2 assays; Nuclear receptor ROR-gamma (Mus musculus) — 2 assays; Aromatase (Homo sapiens) — 3 assays; Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Microtubule-associated protein tau
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.85
Experimental evidence source: ChEMBL
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.7
Experimental evidence source: ChEMBL
Aromatase
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.6
Experimental evidence source: ChEMBL
Guanine nucleotide-binding protein G(s) subunit alpha isoforms short
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.