PLO

(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE

Created:	2003-07-31
Last modified:	2021-03-01

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3 entries where PLO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	7
Bond Count	58
Aromatic Bond Count	0

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Chemical Component Summary
Name	(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE
Synonyms	PREGNENOLONE
Systematic Name (OpenEye OEToolkits)	1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Formula	C₂₁ H₃₂ O₂
Molecular Weight	316.478
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(C)C2C1(CCC3C(C1CC2)CC=C4C3(CCC(O)C4)C)C
SMILES	CACTVS	3.341	CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Canonical SMILES	CACTVS	3.341	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI	InChI	1.03	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey	InChI	1.03	ORNBQBCIOKFOEO-QGVNFLHTSA-N

Drug Info: DrugBank

DrugBank ID	DB02789
Name	Pregnenolone
Groups	approved experimental
Description	A 21-carbon steroid, derived from cholesterol and found in steroid hormone-producing tissues. Pregnenolone is the precursor to gonadal steroid hormones and the adrenal corticosteroids.
Synonyms	Pregnenolone
Brand Names	Pregnenolone
Categories	Adrenal Cortex Hormones Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hydroxycorticosteroids Pregnanes Pregnenes Progesterone Congeners Steroids
CAS number	145-13-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nuclear receptor subfamily 1 group I member 2	MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATG...	unknown
Sulfotransferase family cytosolic 2B member 1	MDGPAEPQIPGLWDTYEDDISEISQKLPGEYFRYKGVPFPVGLYSLESIS...	unknown
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Solute carrier family 10 member 6	MRANCSSSSACPANSSEEELPVGLEVHGNLELVFTVVSTVMMGLLMFSLG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682