ANPDB

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Staudtianoside F

Canonical Smiles	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CCC2=C[C@@H]3[C@@H](C[C@]12C)O[C@@]1(O)[C@H](O)CCO[C@H]1O3)O
InChI	InChI=1S/C28H38O8/c1-25-13-21-20(35-24-28(32,36-21)22(29)7-10-33-24)12-16(25)3-4-19-18(25)5-8-26(2)17(6-9-27(19,26)31)15-11-23(30)34-14-15/h11-12,17-22,24,29,31-32H,3-10,13-14H2,1-2H3/t17-,18+,19-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1
InChIKey	ALDVJMDCGDWUMO-NCMJPSNASA-N
Formula	C₂₈H₃₈O₈
HBA	8
HBD	3
MW	502.6
Rotatable Bonds	1
TPSA	114.68
LogP	2.35
Number Rings	7
Number Aromatic Rings	0
Heavy Atom Count	36
Formal Charge	0
Fraction CSP3	0.82
Exact Mass	502.26
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Salacia staudtiana	Celastraceae	Plantae	662028

Showing of synonyms

Kamtcha DW, Tene M, et al. (2018). Cardenolides from the stem bark of Salacia staudtiana.. Fitoterapia,2018, 127, 402-409. [View] [PubMed]

No compound-protein relationship available.

SMILES: C1OC(=O)C=C1C2CCC(C23)C4C(CC3)C5C(CC4)=CC6C(C5)OC7C(O6)OCCC7

Level: 1

Mol. Weight: 502.6 g/mol

SMILES: C1CCC(C12)CCC3C2CCC=4C3CC5C(C4)OC6C(O5)CCCO6

Level: 0

Mol. Weight: 502.6 g/mol

SMILES: O=C1C=CCO1

Level: 0

Mol. Weight: 502.6 g/mol

No bioactivities available.

Absorption

Protein Name	UniProt ID	Entry Name	Species	#Pharmacophore Points	Probability (0.7 ≤ Tversky Score ≤ 1.0)
Aldo-keto reductase family 1 member C2	P52895	AK1C2_HUMAN	Homo sapiens	3	0.7378
N-alpha-acetyltransferase 50	Q9GZZ1	NAA50_HUMAN	Homo sapiens	3	0.7110