Natural Product: NPC472312

Natural Product ID:  NPC472312
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H48N2
Standard InCHIKey:  VJHRMJFJZGQHMU-UGRPUGRDSA-N
Standard InCHI:  InChI=1S/C29H48N2/c1-18(2)22-12-15-31-27(22)16-19(3)24-8-9-25-23-7-6-20-17-21(30)10-13-28(20,4)26(23)11-14-29(24,25)5/h7,19-21,24-27,31H,6,8-17,30H2,1-5H3/t19-,20+,21-,24-,25+,26+,27?,28+,29-/m1/s1
Canonical SMILES:  N[C@@H]1CC[C@]2([C@H](C1)CC=C1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC1NCCC1=C(C)C)C)C)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
NPO17725 Corticium niger Species Plakinidae Eukaryota PMID[25338277]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified GI50 = 11500 nM 20813436

  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 NPC472312 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
0.9868 High Similarity NPC329782
0.961 High Similarity NPC118329
0.961 High Similarity NPC152039
0.9114 High Similarity NPC474122
0.8987 High Similarity NPC12035
0.8961 High Similarity NPC7214
0.8861 High Similarity NPC211322
0.8659 High Similarity NPC171639
0.8462 Intermediate Similarity NPC476904
0.8452 Intermediate Similarity NPC24733
0.8442 Intermediate Similarity NPC21773
0.8205 Intermediate Similarity NPC265789
0.8095 Intermediate Similarity NPC283277
0.7683 Intermediate Similarity NPC125828
0.7674 Intermediate Similarity NPC215474
0.764 Intermediate Similarity NPC43308
0.759 Intermediate Similarity NPC259989
0.759 Intermediate Similarity NPC174803
0.7526 Intermediate Similarity NPC58200
0.7525 Intermediate Similarity NPC472313
0.7436 Intermediate Similarity NPC469970
0.7416 Intermediate Similarity NPC147513
0.7391 Intermediate Similarity NPC84171
0.7386 Intermediate Similarity NPC21667
0.7379 Intermediate Similarity NPC474452
0.734 Intermediate Similarity NPC476754
0.7333 Intermediate Similarity NPC157479
0.7308 Intermediate Similarity NPC53276
0.7292 Intermediate Similarity NPC167419
0.7282 Intermediate Similarity NPC474459
0.7179 Intermediate Similarity NPC472544
0.716 Intermediate Similarity NPC271640
0.7115 Intermediate Similarity NPC79238
0.7113 Intermediate Similarity NPC474164
0.7053 Intermediate Similarity NPC476752
0.7053 Intermediate Similarity NPC476753
0.7033 Intermediate Similarity NPC152684
0.699 Remote Similarity NPC159367
0.697 Remote Similarity NPC135799
0.6966 Remote Similarity NPC90150
0.6961 Remote Similarity NPC233256
0.6961 Remote Similarity NPC195841
0.6957 Remote Similarity NPC166458
0.6848 Remote Similarity NPC75810
0.6835 Remote Similarity NPC219621
0.6832 Remote Similarity NPC176012
0.6796 Remote Similarity NPC230677
0.6795 Remote Similarity NPC21781
0.6782 Remote Similarity NPC25110
0.6733 Remote Similarity NPC118275
0.67 Remote Similarity NPC91604
0.67 Remote Similarity NPC140685
0.6667 Remote Similarity NPC476903
0.6667 Remote Similarity NPC311769
0.6667 Remote Similarity NPC182106
0.6635 Remote Similarity NPC86906
0.6604 Remote Similarity NPC95920
0.6604 Remote Similarity NPC147835
0.6604 Remote Similarity NPC85001
0.6604 Remote Similarity NPC253645
0.6596 Remote Similarity NPC56107
0.6593 Remote Similarity NPC257962
0.6559 Remote Similarity NPC471867
0.6506 Remote Similarity NPC37792
0.65 Remote Similarity NPC317778
0.6471 Remote Similarity NPC128698
0.6471 Remote Similarity NPC138409
0.6471 Remote Similarity NPC239768
0.6471 Remote Similarity NPC184919
0.6458 Remote Similarity NPC259252
0.6456 Remote Similarity NPC472830
0.6408 Remote Similarity NPC474582
0.6404 Remote Similarity NPC476308
0.6364 Remote Similarity NPC93027
0.6321 Remote Similarity NPC474695
0.6296 Remote Similarity NPC175585
0.6282 Remote Similarity NPC123194
0.6262 Remote Similarity NPC25340
0.6262 Remote Similarity NPC46981
0.625 Remote Similarity NPC304646
0.625 Remote Similarity NPC28280
0.625 Remote Similarity NPC324944
0.625 Remote Similarity NPC469769
0.6238 Remote Similarity NPC272732
0.6238 Remote Similarity NPC311164
0.6228 Remote Similarity NPC35037
0.6207 Remote Similarity NPC473442
0.6207 Remote Similarity NPC120167
0.6196 Remote Similarity NPC57599
0.619 Remote Similarity NPC50815
0.619 Remote Similarity NPC471083
0.619 Remote Similarity NPC152718
0.6173 Remote Similarity NPC472827
0.6154 Remote Similarity NPC275686
0.6145 Remote Similarity NPC145715
0.6145 Remote Similarity NPC474086
0.6136 Remote Similarity NPC476329
0.6132 Remote Similarity NPC241879
0.6132 Remote Similarity NPC98765
0.6132 Remote Similarity NPC474583
0.6125 Remote Similarity NPC474415
0.6125 Remote Similarity NPC474528
0.6125 Remote Similarity NPC470369
0.6125 Remote Similarity NPC470370
0.6125 Remote Similarity NPC173815
0.6125 Remote Similarity NPC475696
0.6117 Remote Similarity NPC140300
0.6111 Remote Similarity NPC244982
0.6111 Remote Similarity NPC476756
0.6098 Remote Similarity NPC311809
0.6092 Remote Similarity NPC245223
0.6092 Remote Similarity NPC124384
0.6075 Remote Similarity NPC212874
0.6071 Remote Similarity NPC473959
0.6061 Remote Similarity NPC323156
0.6061 Remote Similarity NPC249312
0.6042 Remote Similarity NPC116881
0.6042 Remote Similarity NPC57163
0.6038 Remote Similarity NPC247060
0.6038 Remote Similarity NPC226509
0.6019 Remote Similarity NPC55462
0.6 Remote Similarity NPC318036
0.5982 Remote Similarity NPC56796
0.5982 Remote Similarity NPC124358
0.5981 Remote Similarity NPC90538
0.5976 Remote Similarity NPC474420
0.5976 Remote Similarity NPC474454
0.5976 Remote Similarity NPC474455
0.5976 Remote Similarity NPC475716
0.5962 Remote Similarity NPC184033
0.5955 Remote Similarity NPC110615
0.5946 Remote Similarity NPC63511
0.5943 Remote Similarity NPC474001
0.5943 Remote Similarity NPC34193
0.5932 Remote Similarity NPC478138
0.5926 Remote Similarity NPC119329
0.5926 Remote Similarity NPC469958
0.5926 Remote Similarity NPC474457
0.5922 Remote Similarity NPC25033
0.5922 Remote Similarity NPC471635
0.5922 Remote Similarity NPC470382
0.5922 Remote Similarity NPC119225
0.5922 Remote Similarity NPC476261
0.5921 Remote Similarity NPC22765
0.5921 Remote Similarity NPC17518
0.5882 Remote Similarity NPC476559
0.5875 Remote Similarity NPC469770
0.5865 Remote Similarity NPC289140
0.5862 Remote Similarity NPC176107
0.5859 Remote Similarity NPC21035
0.5854 Remote Similarity NPC231129
0.5844 Remote Similarity NPC200129
0.5843 Remote Similarity NPC472543
0.5833 Remote Similarity NPC471868
0.5826 Remote Similarity NPC246904
0.5825 Remote Similarity NPC243985
0.5825 Remote Similarity NPC280710
0.5823 Remote Similarity NPC127944
0.5823 Remote Similarity NPC472828
0.5804 Remote Similarity NPC72753
0.5795 Remote Similarity NPC20610
0.5785 Remote Similarity NPC237286
0.5783 Remote Similarity NPC152211
0.5783 Remote Similarity NPC82919
0.5783 Remote Similarity NPC28755
0.5766 Remote Similarity NPC24596
0.5752 Remote Similarity NPC66862
0.5747 Remote Similarity NPC92327
0.5747 Remote Similarity NPC474456
0.5738 Remote Similarity NPC96010
0.5738 Remote Similarity NPC317654
0.573 Remote Similarity NPC182815
0.573 Remote Similarity NPC472831
0.5714 Remote Similarity NPC126458
0.5702 Remote Similarity NPC296686
0.5702 Remote Similarity NPC80834
0.5702 Remote Similarity NPC469968
0.5691 Remote Similarity NPC478136
0.5682 Remote Similarity NPC476135
0.5679 Remote Similarity NPC470893
0.5667 Remote Similarity NPC159577
0.5667 Remote Similarity NPC475728
0.5667 Remote Similarity NPC35734
0.5667 Remote Similarity NPC282593
0.5664 Remote Similarity NPC472359
0.566 Remote Similarity NPC240650
0.5641 Remote Similarity NPC473573
0.5612 Remote Similarity NPC161344
0.5604 Remote Similarity NPC470078
0.5604 Remote Similarity NPC115023

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472312 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
0.775 Intermediate Similarity NPD5365 Phase 2
0.6422 Remote Similarity NPD7337 Clinical (unspecified phase)
0.6422 Remote Similarity NPD7336 Phase 2
0.6422 Remote Similarity NPD7335 Phase 2
0.6395 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6395 Remote Similarity NPD6939 Phase 2
0.6019 Remote Similarity NPD1738 Approved
0.598 Remote Similarity NPD5771 Approved
0.5941 Remote Similarity NPD4543 Discontinued
0.5897 Remote Similarity NPD3721 Approved
0.5897 Remote Similarity NPD3722 Approved
0.5825 Remote Similarity NPD3982 Approved
0.5825 Remote Similarity NPD3980 Approved
0.5825 Remote Similarity NPD5769 Clinical (unspecified phase)
0.5802 Remote Similarity NPD628 Phase 3
0.5802 Remote Similarity NPD627 Approved
0.5802 Remote Similarity NPD625 Approved
0.5802 Remote Similarity NPD626 Phase 3
0.5701 Remote Similarity NPD1946 Clinical (unspecified phase)
0.57 Remote Similarity NPD4145 Approved
0.57 Remote Similarity NPD4146 Approved
0.5686 Remote Similarity NPD5915 Approved
0.5673 Remote Similarity NPD2878 Approved
0.5641 Remote Similarity NPD4834 Discontinued
0.5619 Remote Similarity NPD5554 Approved
0.5604 Remote Similarity NPD4243 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3358086
ZINC  

Physicochemical Properties

Molecular Weight:  424.38
ALogP:  1.8817
MLogP:  4.43
XLogP:  7.759
# Rotatable Bonds:  9
Polar Surface Area:  38.05
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  31

Download Data

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