Retrorsine

Representations & DB's id
ChEBI:	CHEBI:8822
ChEMBL:	CHEMBL496894
PubChem:	5281743
IUPAC:	(1R,4Z,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Standard InChI:	InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1
Standard InChI Key:	BCJMNZRQJAVDLD-CQRYIUNCSA-N
SMILES:	C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3

Molecular propeties
AlogP:	0.17
Hydrogen bonds acceptors:	7
Hydrogen bonds donors:	2
Rotatable bonds:	1
Number of rings:	3
Molecular Weight:	351.17
Topological polar surface area:	96.3
Number of aromatic rings:	0
Fsp3:	0.667
Number of carbons:	18

Plant sources

Part of plant	Plant name	Ref.
Plant	Dysphania ambrosioides

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	22387.2 nM	ATP-dependent DNA helicase Q1	P46063
Potency	39810.7 nM	ATP-dependent DNA helicase Q1	P46063
Potency	4466.8 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	11220.2 nM	Transcriptional regulator ERG	P11308