EMNPD

NPs Basic Information
NPs Species Source
NPs Content
NPs Biological Activity
NPs Physi-Chem Properties
NPs ADMET Properties
Similar NPs and Drugs

NPs Basic Information

Download MOL File	Name	Ginsenoside Rh1
	Molecular Formula	C36H62O9
	IUPAC Name*	(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
	SMILES	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C
	InChI	InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1
	InChIKey	RAQNTCRNSXYLAH-RFCGZQMISA-N
	Synonyms	Ginsenoside Rh1; 63223-86-9; 20(S)-Ginsenoside Rh1; Sanchinoside B2; Prosapogenin A2; Sanchinoside Rh1; XBR6F7G8FU; ginsenoside-Rh1; MFCD09951797; ginsenoside Rh(1); ginsenoside G-Rh(1); GINSENOSIDE RH 1; UNII-XBR6F7G8FU; S-GINSENOSIDE RH1; (20S)-ginsenoside Rh1; BIDD:ER0183; CHEMBL466844; DTXSID80979245; (3beta,6alpha,12beta)-3,12,20-Trihydroxydammar-24-en-6-yl beta-D-glucopyranoside; CHEBI:142487; HMS3886D18; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; HY-N0604; GINSENOSIDE RH1, (20S)-; BDBM50023447; Ginsenoside Rh1, analytical standard; s9129; ZINC49852137; AKOS025311542; CCG-270315; CS-3834; AS-75346; C22129; A834283; Q-100729; beta-D-Glucopyranoside, (3beta,6alpha,12beta)-3,12,20-trihydroxydammar-24-en-6-yl; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,14R,17S)-3,12-dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-7,11-dihydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]oxane-3,4,5-; .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,6.ALPHA.,12.BETA.)-3,12,20-TRIHYDROXYDAMMAR-24-EN-6-YL
	CAS	63223-86-9
	PubChem CID	12855920
	ChEMBL ID	CHEMBL466844

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Lipids and lipid-like mol Class: Prenol lipids Subclass: Terpene glycosides Direct Parent: Triterpene saponins	ClassyFire Version 1.0 PMID:27867422

NPs Species Source

	Endophyte ID	Endophyte Name	Family	Genus	Taxonomy ID	GenBank ID	Closest GenBank ID	Reference
	Endophyte ID	Endophyte Name	Family	Genus	Taxonomy ID	GenBank ID	Closest GenBank ID	Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.

**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

	Bioactivity Name	Target ID	Target Name	Target Type	Target Organism	Target Organism ID	Potency of Bioactivity	Activity Type	Value	Unit	Endophyte ID	Endophyte Name
	Bioactivity Name	Target ID	Target Name	Target Type	Target Organism	Target Organism ID	Potency of Bioactivity	Activity Type	Value	Unit	Endophyte ID	Endophyte Name

NPs Physi-Chem Properties

Molecular Weight:	638.9	ALogp:	4.3
HBD:	7	HBA:	9
Rotatable Bonds:	7	Lipinski's rule of five:	Rejected
Polar Surface Area:	160.0	Aromatic Rings:	5
Heavy Atoms:	45	QED Weighted:	0.161

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-5.161	MDCK Permeability:	0.00003070
Pgp-inhibitor:	0.996	Pgp-substrate:	0.057
Human Intestinal Absorption (HIA):	0.184	20% Bioavailability (F20%):	0.893
30% Bioavailability (F30%):	0.973

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.015	Plasma Protein Binding (PPB):	83.47%
Volume Distribution (VD):	0.615	Fu:	6.79%

ADMET: Metabolism

CYP1A2-inhibitor:	0.004	CYP1A2-substrate:	0.12
CYP2C19-inhibitor:	0.004	CYP2C19-substrate:	0.709
CYP2C9-inhibitor:	0.022	CYP2C9-substrate:	0.062
CYP2D6-inhibitor:	0.002	CYP2D6-substrate:	0.074
CYP3A4-inhibitor:	0.162	CYP3A4-substrate:	0.132

ADMET: Excretion

Clearance (CL):

1.637

Half-life (T1/2):

0.491

ADMET: Toxicity

hERG Blockers:	0.13	Human Hepatotoxicity (H-HT):	0.259
Drug-inuced Liver Injury (DILI):	0.009	AMES Toxicity:	0.029
Rat Oral Acute Toxicity:	0.284	Maximum Recommended Daily Dose:	0.048
Skin Sensitization:	0.686	Carcinogencity:	0.009
Eye Corrosion:	0.003	Eye Irritation:	0.018
Respiratory Toxicity:	0.96

*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs					Similar Drugs
NPs ID	NPs 2D Structure	Similarity Score			TTD ID	Drug 2D Structure	Similarity Score
ENC001918		0.818			D04RYU		0.365
ENC000865		0.776			D0X7XG		0.344
ENC002152		0.694			D03MTN		0.343
ENC001939		0.665			D0AR3J		0.341
ENC001938		0.614			D0P2IT		0.338
ENC002655		0.520			D07QQD		0.333
ENC002180		0.520			D04MRG		0.319
ENC001894		0.462			D0P6IK		0.312
ENC002245		0.462			D09HTS		0.309
ENC001933		0.451			D0S0NK		0.305

*Note: the compound similarity was calculated by RDKIT.