Natural Product: NPC233910

Natural Product ID:  NPC233910
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C17H21NO4
Standard InCHIKey:  STECJAGHUSJQJN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
Canonical SMILES:  OCC(c1ccccc1)C(=O)OC1CC2N(C(C1)C1C2O1)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO25993 Atropa belladonna Species Solanaceae Eukaryota TM-MC*
NPO24850 Datura metel Species Solanaceae Eukaryota TM-MC*
NPO6495 Datura stramonium Species Solanaceae Eukaryota TM-MC*
NPO18781 Hyoscyamus niger Species Solanaceae Eukaryota TM-MC*
NPO25114 Linum usitatissimum Species Linaceae Eukaryota TM-MC*
NPO10384 Scopolia carniolica Species Solanaceae Eukaryota TM-MC*
NPO3890 Scopolia japonica Species Solanaceae Eukaryota TM-MC*
NPO16326 Scopolia parviflora Species Solanaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 7079.5 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22.4 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC233910 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC245836
0.9758 High Similarity NPC69496
0.9194 High Similarity NPC169485
0.9194 High Similarity NPC84281
0.9194 High Similarity NPC291027
0.9194 High Similarity NPC213126
0.9194 High Similarity NPC317474
0.9127 High Similarity NPC474847
0.806 Intermediate Similarity NPC65310
0.7746 Intermediate Similarity NPC281104
0.7708 Intermediate Similarity NPC57976
0.7612 Intermediate Similarity NPC80150
0.7578 Intermediate Similarity NPC158854
0.75 Intermediate Similarity NPC26285
0.7417 Intermediate Similarity NPC162104
0.7383 Intermediate Similarity NPC145113
0.7361 Intermediate Similarity NPC79465
0.7361 Intermediate Similarity NPC260045
0.7361 Intermediate Similarity NPC476102
0.7361 Intermediate Similarity NPC293377
0.7361 Intermediate Similarity NPC76785
0.7361 Intermediate Similarity NPC474811
0.7361 Intermediate Similarity NPC9687
0.7361 Intermediate Similarity NPC273907
0.7361 Intermediate Similarity NPC118099
0.7361 Intermediate Similarity NPC151706
0.7361 Intermediate Similarity NPC475318
0.7361 Intermediate Similarity NPC49577
0.7361 Intermediate Similarity NPC474787
0.7361 Intermediate Similarity NPC474855
0.7361 Intermediate Similarity NPC475598
0.7361 Intermediate Similarity NPC90194
0.7353 Intermediate Similarity NPC190663
0.7347 Intermediate Similarity NPC161069
0.7333 Intermediate Similarity NPC310467
0.7297 Intermediate Similarity NPC476978
0.7279 Intermediate Similarity NPC269398
0.7279 Intermediate Similarity NPC263493
0.7267 Intermediate Similarity NPC329761
0.7267 Intermediate Similarity NPC225648
0.7266 Intermediate Similarity NPC285394
0.7259 Intermediate Similarity NPC169328
0.7246 Intermediate Similarity NPC160493
0.7226 Intermediate Similarity NPC478016
0.7226 Intermediate Similarity NPC478014
0.7226 Intermediate Similarity NPC478015
0.7222 Intermediate Similarity NPC313663
0.7214 Intermediate Similarity NPC47667
0.7152 Intermediate Similarity NPC138775
0.7133 Intermediate Similarity NPC5620
0.7133 Intermediate Similarity NPC209509
0.7111 Intermediate Similarity NPC188010
0.7101 Intermediate Similarity NPC45777
0.7101 Intermediate Similarity NPC477061
0.7097 Intermediate Similarity NPC68967
0.7095 Intermediate Similarity NPC163392
0.7095 Intermediate Similarity NPC239762
0.7092 Intermediate Similarity NPC317163
0.7075 Intermediate Similarity NPC471264
0.7075 Intermediate Similarity NPC471265
0.7071 Intermediate Similarity NPC108286
0.7059 Intermediate Similarity NPC2501
0.7059 Intermediate Similarity NPC94602
0.7055 Intermediate Similarity NPC248283
0.7054 Intermediate Similarity NPC19136
0.7045 Intermediate Similarity NPC292758
0.7045 Intermediate Similarity NPC65855
0.7034 Intermediate Similarity NPC246079
0.7032 Intermediate Similarity NPC122590
0.7027 Intermediate Similarity NPC178662
0.7027 Intermediate Similarity NPC470884
0.7027 Intermediate Similarity NPC98424
0.7027 Intermediate Similarity NPC92784
0.7027 Intermediate Similarity NPC476133
0.6993 Remote Similarity NPC105114
0.6993 Remote Similarity NPC89923
0.6993 Remote Similarity NPC71933
0.6993 Remote Similarity NPC239990
0.6993 Remote Similarity NPC152850
0.698 Remote Similarity NPC307357
0.698 Remote Similarity NPC268841
0.698 Remote Similarity NPC46098
0.6962 Remote Similarity NPC197743
0.6962 Remote Similarity NPC297145
0.6959 Remote Similarity NPC127741
0.6948 Remote Similarity NPC129666
0.6947 Remote Similarity NPC474111
0.6947 Remote Similarity NPC329705
0.6944 Remote Similarity NPC103605
0.6944 Remote Similarity NPC81092
0.6929 Remote Similarity NPC322598
0.6923 Remote Similarity NPC136453
0.6901 Remote Similarity NPC138798
0.689 Remote Similarity NPC474858
0.6887 Remote Similarity NPC251439
0.6887 Remote Similarity NPC139326
0.687 Remote Similarity NPC476198
0.6867 Remote Similarity NPC477462
0.6864 Remote Similarity NPC329816
0.6863 Remote Similarity NPC314358
0.6859 Remote Similarity NPC214239
0.685 Remote Similarity NPC477767
0.6849 Remote Similarity NPC157311
0.6846 Remote Similarity NPC478140
0.6842 Remote Similarity NPC471516
0.6842 Remote Similarity NPC52748
0.6835 Remote Similarity NPC237420
0.6831 Remote Similarity NPC35996
0.6831 Remote Similarity NPC474082
0.6831 Remote Similarity NPC175726
0.6831 Remote Similarity NPC6975
0.6826 Remote Similarity NPC475427
0.6818 Remote Similarity NPC135121
0.6818 Remote Similarity NPC260194
0.6803 Remote Similarity NPC8761
0.6803 Remote Similarity NPC44805
0.6803 Remote Similarity NPC246913
0.6797 Remote Similarity NPC316008
0.6797 Remote Similarity NPC313867
0.6784 Remote Similarity NPC473562
0.6783 Remote Similarity NPC307020
0.6774 Remote Similarity NPC240848
0.6774 Remote Similarity NPC471820
0.6774 Remote Similarity NPC471821
0.6769 Remote Similarity NPC474112
0.6769 Remote Similarity NPC474820
0.6769 Remote Similarity NPC475978
0.6761 Remote Similarity NPC252878
0.6759 Remote Similarity NPC319766
0.6757 Remote Similarity NPC287401
0.6753 Remote Similarity NPC262077
0.6753 Remote Similarity NPC262216
0.6742 Remote Similarity NPC67043
0.6739 Remote Similarity NPC197470
0.6739 Remote Similarity NPC210531
0.6736 Remote Similarity NPC477248
0.6736 Remote Similarity NPC477249
0.6736 Remote Similarity NPC4974
0.6733 Remote Similarity NPC68865
0.6732 Remote Similarity NPC475128
0.6732 Remote Similarity NPC314388
0.6732 Remote Similarity NPC315283
0.6728 Remote Similarity NPC73644
0.6727 Remote Similarity NPC35345
0.6715 Remote Similarity NPC87069
0.6714 Remote Similarity NPC314992
0.6713 Remote Similarity NPC46427
0.6712 Remote Similarity NPC469666
0.6711 Remote Similarity NPC469427
0.6711 Remote Similarity NPC469426
0.6711 Remote Similarity NPC477680
0.6709 Remote Similarity NPC473341
0.6707 Remote Similarity NPC181138
0.6707 Remote Similarity NPC298851
0.6707 Remote Similarity NPC293255
0.6707 Remote Similarity NPC21752
0.6707 Remote Similarity NPC210415
0.6707 Remote Similarity NPC276993
0.6707 Remote Similarity NPC137627
0.6692 Remote Similarity NPC214200
0.6692 Remote Similarity NPC228400
0.6692 Remote Similarity NPC94487
0.6691 Remote Similarity NPC269340
0.669 Remote Similarity NPC202521
0.669 Remote Similarity NPC79608
0.669 Remote Similarity NPC476033
0.6688 Remote Similarity NPC201244
0.6688 Remote Similarity NPC477217
0.6687 Remote Similarity NPC475123
0.6687 Remote Similarity NPC475204
0.6667 Remote Similarity NPC476194
0.6667 Remote Similarity NPC471165
0.6667 Remote Similarity NPC176226
0.6667 Remote Similarity NPC275839
0.6667 Remote Similarity NPC271475
0.6667 Remote Similarity NPC309692
0.6667 Remote Similarity NPC473541
0.6667 Remote Similarity NPC105717
0.6667 Remote Similarity NPC470902
0.6646 Remote Similarity NPC217801
0.6645 Remote Similarity NPC476259
0.6642 Remote Similarity NPC273814
0.6628 Remote Similarity NPC477159
0.6627 Remote Similarity NPC476441
0.6627 Remote Similarity NPC129624
0.6623 Remote Similarity NPC204546
0.6621 Remote Similarity NPC244454
0.662 Remote Similarity NPC476990
0.6617 Remote Similarity NPC321670
0.6617 Remote Similarity NPC474307
0.6615 Remote Similarity NPC12730
0.6606 Remote Similarity NPC469479
0.6606 Remote Similarity NPC472106
0.6605 Remote Similarity NPC153694
0.6605 Remote Similarity NPC211525
0.6599 Remote Similarity NPC213969
0.6599 Remote Similarity NPC165726
0.6599 Remote Similarity NPC296712
0.6597 Remote Similarity NPC223351
0.6594 Remote Similarity NPC172525

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC233910 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD2574 Discontinued
1.0 High Similarity NPD3616 Approved
1.0 High Similarity NPD3615 Approved
1.0 High Similarity NPD3088 Approved
1.0 High Similarity NPD2573 Approved
1.0 High Similarity NPD2572 Clinical (unspecified phase)
1.0 High Similarity NPD2570 Approved
1.0 High Similarity NPD3614 Approved
1.0 High Similarity NPD3090 Approved
1.0 High Similarity NPD4745 Approved
1.0 High Similarity NPD3087 Approved
1.0 High Similarity NPD4746 Phase 3
1.0 High Similarity NPD3089 Approved
1.0 High Similarity NPD2571 Approved
1.0 High Similarity NPD2566 Approved
0.9841 High Similarity NPD4684 Phase 3
0.9841 High Similarity NPD4686 Approved
0.9841 High Similarity NPD4685 Phase 3
0.9758 High Similarity NPD2613 Approved
0.9194 High Similarity NPD2609 Approved
0.9194 High Similarity NPD4217 Approved
0.9194 High Similarity NPD4218 Approved
0.9194 High Similarity NPD2612 Approved
0.9194 High Similarity NPD2611 Approved
0.9194 High Similarity NPD2610 Approved
0.9194 High Similarity NPD2608 Approved
0.9194 High Similarity NPD3131 Approved
0.9194 High Similarity NPD4216 Approved
0.9194 High Similarity NPD4215 Approved
0.9194 High Similarity NPD3132 Approved
0.9111 High Similarity NPD2575 Approved
0.8175 Intermediate Similarity NPD2652 Approved
0.8175 Intermediate Similarity NPD2650 Approved
0.8125 Intermediate Similarity NPD4576 Approved
0.8125 Intermediate Similarity NPD4574 Approved
0.806 Intermediate Similarity NPD2627 Approved
0.806 Intermediate Similarity NPD2159 Approved
0.806 Intermediate Similarity NPD2160 Approved
0.806 Intermediate Similarity NPD2626 Approved
0.806 Intermediate Similarity NPD2628 Approved
0.806 Intermediate Similarity NPD2625 Approved
0.7943 Intermediate Similarity NPD3648 Clinical (unspecified phase)
0.781 Intermediate Similarity NPD5204 Approved
0.781 Intermediate Similarity NPD3664 Approved
0.781 Intermediate Similarity NPD3663 Approved
0.781 Intermediate Similarity NPD3661 Approved
0.781 Intermediate Similarity NPD3662 Phase 3
0.777 Intermediate Similarity NPD4621 Approved
0.777 Intermediate Similarity NPD4619 Approved
0.7754 Intermediate Similarity NPD5202 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD2567 Approved
0.7746 Intermediate Similarity NPD2569 Approved
0.7703 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD6309 Approved
0.766 Intermediate Similarity NPD6310 Approved
0.766 Intermediate Similarity NPD6311 Approved
0.7626 Intermediate Similarity NPD5201 Approved
0.7626 Intermediate Similarity NPD4617 Approved
0.7626 Intermediate Similarity NPD4620 Approved
0.7626 Intermediate Similarity NPD5203 Approved
0.7578 Intermediate Similarity NPD1756 Approved
0.7578 Intermediate Similarity NPD1752 Approved
0.7578 Intermediate Similarity NPD3646 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD2607 Approved
0.7535 Intermediate Similarity NPD5119 Approved
0.7535 Intermediate Similarity NPD5121 Approved
0.7535 Intermediate Similarity NPD5120 Approved
0.7519 Intermediate Similarity NPD2115 Approved
0.7519 Intermediate Similarity NPD2117 Pre-registration
0.7519 Intermediate Similarity NPD2116 Approved
0.7481 Intermediate Similarity NPD1373 Approved
0.7481 Intermediate Similarity NPD1370 Approved
0.7481 Intermediate Similarity NPD1371 Approved
0.7481 Intermediate Similarity NPD1374 Approved
0.7463 Intermediate Similarity NPD2994 Approved
0.7442 Intermediate Similarity NPD4233 Approved
0.7442 Intermediate Similarity NPD4234 Approved
0.7407 Intermediate Similarity NPD3030 Approved
0.7407 Intermediate Similarity NPD3031 Approved
0.7407 Intermediate Similarity NPD3032 Approved
0.7388 Intermediate Similarity NPD6065 Approved
0.7372 Intermediate Similarity NPD4806 Approved
0.7372 Intermediate Similarity NPD4807 Approved
0.7324 Intermediate Similarity NPD4738 Phase 2
0.7319 Intermediate Similarity NPD2584 Suspended
0.7315 Intermediate Similarity NPD7488 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD8172 Phase 2
0.731 Intermediate Similarity NPD8173 Phase 2
0.7299 Intermediate Similarity NPD2946 Phase 2
0.7299 Intermediate Similarity NPD4106 Approved
0.7299 Intermediate Similarity NPD4136 Approved
0.7299 Intermediate Similarity NPD4135 Approved
0.7273 Intermediate Similarity NPD6591 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD5158 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD5159 Phase 2
0.7266 Intermediate Similarity NPD5157 Phase 1
0.7222 Intermediate Similarity NPD7714 Approved
0.7222 Intermediate Similarity NPD7715 Approved
0.7214 Intermediate Similarity NPD5667 Approved
0.7209 Intermediate Similarity NPD5705 Approved
0.7209 Intermediate Similarity NPD5706 Approved
0.7209 Intermediate Similarity NPD5704 Approved
0.7183 Intermediate Similarity NPD4175 Approved
0.7183 Intermediate Similarity NPD4177 Approved
0.7172 Intermediate Similarity NPD8265 Approved
0.7164 Intermediate Similarity NPD4766 Approved
0.7153 Intermediate Similarity NPD4102 Approved
0.7153 Intermediate Similarity NPD4105 Approved
0.7143 Intermediate Similarity NPD6852 Discontinued
0.7122 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD2201 Approved
0.7114 Intermediate Similarity NPD4152 Approved
0.7101 Intermediate Similarity NPD5306 Approved
0.7101 Intermediate Similarity NPD5305 Approved
0.7092 Intermediate Similarity NPD6792 Phase 3
0.709 Intermediate Similarity NPD3598 Phase 3
0.708 Intermediate Similarity NPD6343 Approved
0.708 Intermediate Similarity NPD6345 Approved
0.7075 Intermediate Similarity NPD6073 Approved
0.7055 Intermediate Similarity NPD4153 Approved
0.7055 Intermediate Similarity NPD8416 Discontinued
0.7047 Intermediate Similarity NPD7511 Approved
0.7047 Intermediate Similarity NPD7512 Approved
0.7042 Intermediate Similarity NPD6564 Approved
0.7042 Intermediate Similarity NPD6565 Approved
0.7042 Intermediate Similarity NPD6563 Approved
0.7037 Intermediate Similarity NPD1711 Phase 2
0.7029 Intermediate Similarity NPD5981 Approved
0.7007 Intermediate Similarity NPD5990 Approved
0.7007 Intermediate Similarity NPD5991 Approved
0.7007 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD8417 Discontinued
0.7 Intermediate Similarity NPD3494 Approved
0.7 Intermediate Similarity NPD3492 Approved
0.7 Intermediate Similarity NPD7437 Approved
0.7 Intermediate Similarity NPD7436 Approved
0.7 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3493 Approved
0.6972 Remote Similarity NPD2199 Approved
0.6972 Remote Similarity NPD2198 Approved
0.6962 Remote Similarity NPD7749 Clinical (unspecified phase)
0.6959 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5725 Approved
0.6957 Remote Similarity NPD4479 Discontinued
0.6947 Remote Similarity NPD6685 Approved
0.6944 Remote Similarity NPD5759 Approved
0.694 Remote Similarity NPD4573 Approved
0.694 Remote Similarity NPD4572 Approved
0.694 Remote Similarity NPD4571 Approved
0.6934 Remote Similarity NPD5292 Approved
0.6934 Remote Similarity NPD5291 Approved
0.6928 Remote Similarity NPD8323 Discontinued
0.6913 Remote Similarity NPD6294 Approved
0.6913 Remote Similarity NPD6295 Approved
0.6912 Remote Similarity NPD747 Discontinued
0.6906 Remote Similarity NPD6994 Approved
0.6906 Remote Similarity NPD6993 Approved
0.6901 Remote Similarity NPD4677 Discontinued
0.6899 Remote Similarity NPD4719 Phase 2
0.6892 Remote Similarity NPD8643 Discontinued
0.6884 Remote Similarity NPD7522 Discontinued
0.687 Remote Similarity NPD5048 Discontinued
0.6866 Remote Similarity NPD3642 Approved
0.6866 Remote Similarity NPD3643 Approved
0.6866 Remote Similarity NPD3644 Approved
0.6863 Remote Similarity NPD6676 Phase 2
0.6849 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6849 Remote Similarity NPD6039 Approved
0.6846 Remote Similarity NPD7510 Approved
0.6842 Remote Similarity NPD2436 Approved
0.6842 Remote Similarity NPD2437 Approved
0.6831 Remote Similarity NPD3073 Approved
0.6831 Remote Similarity NPD3072 Approved
0.6831 Remote Similarity NPD3071 Approved
0.6824 Remote Similarity NPD6623 Phase 3
0.6824 Remote Similarity NPD5296 Approved
0.6818 Remote Similarity NPD811 Approved
0.6818 Remote Similarity NPD810 Approved
0.6818 Remote Similarity NPD812 Approved
0.6806 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6806 Remote Similarity NPD4103 Phase 2
0.68 Remote Similarity NPD5688 Approved
0.68 Remote Similarity NPD5689 Approved
0.6791 Remote Similarity NPD5239 Approved
0.6791 Remote Similarity NPD5237 Approved
0.6791 Remote Similarity NPD5236 Approved
0.6791 Remote Similarity NPD5235 Approved
0.6791 Remote Similarity NPD5240 Approved
0.6783 Remote Similarity NPD4659 Approved
0.6781 Remote Similarity NPD5263 Approved
0.6769 Remote Similarity NPD855 Approved
0.6769 Remote Similarity NPD854 Approved
0.6767 Remote Similarity NPD5979 Clinical (unspecified phase)
0.6761 Remote Similarity NPD4762 Approved
0.6761 Remote Similarity NPD5618 Discontinued
0.6761 Remote Similarity NPD5338 Clinical (unspecified phase)
0.6761 Remote Similarity NPD4761 Approved
0.6759 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7086 Phase 2
0.6757 Remote Similarity NPD7634 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5184
ChEMBL   CHEMBL13030
ZINC  

Physicochemical Properties

Molecular Weight:  303.15
ALogP:  -1.5511
MLogP:  2.78
XLogP:  2.496
# Rotatable Bonds:  7
Polar Surface Area:  62.3
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  22

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs