Perlolyrine

PubChem CID: 160179

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Compound Synonyms	Perlolyrine, 29700-20-7, perlolyrin, Substance YS, [5-(9H-pyrido[3,4-b]indol-1-yl)furan-2-yl]methanol, Yellow substance YS, CHEBI:69444, SV3L654T9S, 2-Furanmethanol, 5-(9H-pyrido(3,4-b)indol-1-yl)-, (5-{9H-PYRIDO[3,4-B]INDOL-1-YL}FURAN-2-YL)METHANOL, 5-(9H-Pyrido(3,4-b)indol-1-yl)-2-Furanmethanol, 2-Furanmethanol, 5-(9H-pyrido[3,4-b]indol-1-yl)-, CCRIS 4068, Perlolyrin?, Alkaloid YS, UNII-SV3L654T9S, CHEMBL501991, SCHEMBL3919519, DTXSID50903330, KFUCYPGCMLPUMT-UHFFFAOYSA-N, EBA70020, BDBM50458321, AKOS040763548, FS-8377, HY-W783671, DA-66591, 2-(b-Carbolin-1-yl)-5-hydroxymethylfuran, CS-0858210, NS00094319, [5-(9H-Beta-carbolin-1-yl)-2-furyl]methanol, C09231, [5-(9H-Beta-carbolin-1-yl)-2-furyl]methanol #, Q27104974, 5-(9H-Pyrido[3,4-b]indol-1-yl)-2-furanmethanol, 9CI, InChI=1/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	62.1
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CC1C(C3CCCC3)CCCC21
Np Classifier Class	Carboline alkaloids
Deep Smiles	OCcccco5)cncccc6[nH]cc5cccc6
Heavy Atom Count	20.0
Classyfire Class	Harmala alkaloids
Description	Alkaloid from Korean ginseng and Japanese soy sauce. Perlolyrine is found in saffron, soy bean, and herbs and spices.
Scaffold Graph Node Level	C1CCC2C(C1)NC1C2CCNC1C1CCCO1
Isotope Atom Count	0.0
Molecular Complexity	351.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a., O76074
Iupac Name	[5-(9H-pyrido[3,4-b]indol-1-yl)furan-2-yl]methanol
Prediction Hob	1.0
Class	Harmala alkaloids
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Target Id	NPT273
Xlogp	2.2
Superclass	Alkaloids and derivatives
Gsk 4 400 Rule	True
Molecular Formula	C16H12N2O2
Scaffold Graph Node Bond Level	c1coc(-c2nccc3c2[nH]c2ccccc23)c1
Prediction Swissadme	0.0
Inchi Key	KFUCYPGCMLPUMT-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.0625
Logs	-3.89
Rotatable Bond Count	2.0
State	Solid
Logd	2.688
Synonyms	[5-(9H-Beta-carbolin-1-yl)-2-furyl]methanol, 2-(b-Carbolin-1-yl)-5-hydroxymethylfuran, 2-Dehydrocarbonylflazin, 2-Furanmethanol, 5-(9H-pyrido(3,4-b)indol-1-yl)-, 5-(9H-Pyrido(3,4-b)indol-1-yl)-2-furanmethanol, 5-(9H-Pyrido[3,4-b]indol-1-yl)-2-furanmethanol, 9CI, Alkaloid YS, Substance ys, Yellow substance ys, 5-(9H-pyrido(3,4-b)indol-1-yl)-2-Furanmethanol, 5-(9H-pyrido[3,4-b]indol-1-yl)-2-Furanmethanol, 9ci, Alkaloid ys, [5-(9H-beta-Carbolin-1-yl)-2-furyl]methanol, perlolyrine
Substituent Name	Harman, Pyridoindole, Beta-carboline, Indole or derivatives, Indole, Benzenoid, Pyridine, Heteroaromatic compound, Pyrrole, Furan, Oxacycle, Azacycle, Organoheterocyclic compound, Hydrocarbon derivative, Aromatic alcohol, Primary alcohol, Organooxygen compound, Organonitrogen compound, Alcohol, Aromatic heteropolycyclic compound
Esol Class	Soluble
Functional Groups	CO, c[nH]c, cnc, coc
Compound Name	Perlolyrine
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	264.09
Formal Charge	0.0
Monoisotopic Mass	264.09
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	264.28
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Lipinski Rule Of 5	True
Esol	-3.4174607999999997
Inchi	InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2
Smiles	C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)CO
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Harmala alkaloids
Np Classifier Superclass	Tryptophan alkaloids

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82. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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Perlolyrine

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Phytochemical Properties

Associated Connections 82

Plant Connections 82