Erioflorin acetate Details

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Physical and Chemical properties

PUBCHEM ID	5281443
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	390.4
Molecular Formula	C21H26O7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
IUPAC Name	[(1R,2R,4R,6R,8S,9Z,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylprop-2-enoate
Canonical SMILES	"C/C/1=C/[C@@H]2[C@@H]([C@@H](C[C@@]3([C@H](O3)C[C@@H]1OC(=O)C)C)OC(=O)C(=C)C)C(=C)C(=O)O2 "
PUBCHEM IUPAC INCHIKEY	RXIZKFBTUOTBOZ-PTZLTHSXSA-N
Solubility Level	3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	2.2
CACTVS TPSA	91.4 Ų
BBB Level	3
Absorption Level	0
EXT PPB#Prediction	TRUE
AlogP98	2.109
EXT CYP2D6#Prediction	FALSE

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	0.604115 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	FALSE
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Mild
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1	Cytotoxic		40126263		Erioflorin acetate