Natural Product: NPC477056

Natural Product ID:  NPC477056
Common Name:   n.a.
IUPAC Name:  
Synonyms:   elaphopilosin-B
Molecular Formula:   C30H40O8
Standard InCHIKey:  MSCBLCWICMOXIW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C30H40O8/c1-7-9-10-12-21(32)24-22(33)16-23(38-6)18(26(24)34)15-19-27(35)25(20(31)11-8-2)29(37)30(5,28(19)36)14-13-17(3)4/h13,16,33-34,36-37H,7-12,14-15H2,1-6H3
Canonical SMILES:  CCCCCC(=O)c1c(O)cc(c(c1O)CC1=C(O)C(C(=C(C1=O)C(=O)CCC)O)(C)CC=C(C)C)OC
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
NPO7440 Elaphoglossum piloselloides Species Dryopteridaceae Eukaryota La Banderita, Tucumán, Argentina 2005-DEC PMID[19239238]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6698 Organism Biomphalaria peregrina Biomphalaria peregrina Activity = 100 % 19239238
NPT6698 Organism Biomphalaria peregrina Biomphalaria peregrina Activity = 57 % 19239238
NPT6698 Organism Biomphalaria peregrina Biomphalaria peregrina Activity = 10 % 19239238
NPT6698 Organism Biomphalaria peregrina Biomphalaria peregrina LD50 = 1.8 nM 19239238
NPT6698 Organism Biomphalaria peregrina Biomphalaria peregrina LD90 = 2.6 nM 19239238
NPT6698 Organism Biomphalaria peregrina Biomphalaria peregrina LD100 <= 5 ppm 19239238

  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 NPC477056 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 NPC477055
0.9706 High Similarity NPC325346
0.9333 High Similarity NPC13575
0.9328 High Similarity NPC16197
0.9318 High Similarity NPC84772
0.9275 High Similarity NPC11056
0.9265 High Similarity NPC249606
0.9265 High Similarity NPC12165
0.9265 High Similarity NPC41461
0.9265 High Similarity NPC25287
0.9265 High Similarity NPC477243
0.9265 High Similarity NPC1486
0.9265 High Similarity NPC477244
0.9265 High Similarity NPC150399
0.9265 High Similarity NPC174999
0.9265 High Similarity NPC168105
0.9265 High Similarity NPC186838
0.9265 High Similarity NPC66349
0.9265 High Similarity NPC274109
0.9265 High Similarity NPC98115
0.9265 High Similarity NPC477242
0.9259 High Similarity NPC103842
0.9254 High Similarity NPC215875
0.9254 High Similarity NPC15834
0.9248 High Similarity NPC324482
0.9242 High Similarity NPC230818
0.9209 High Similarity NPC316911
0.9209 High Similarity NPC316560
0.9197 High Similarity NPC317119
0.9197 High Similarity NPC153979
0.9197 High Similarity NPC472419
0.9191 High Similarity NPC156092
0.9191 High Similarity NPC131039
0.9185 High Similarity NPC20560
0.9185 High Similarity NPC144051
0.9185 High Similarity NPC159623
0.9185 High Similarity NPC28753
0.9185 High Similarity NPC82225
0.9185 High Similarity NPC204960
0.9185 High Similarity NPC294593
0.9185 High Similarity NPC18877
0.9179 High Similarity NPC27490
0.9143 High Similarity NPC321629
0.9143 High Similarity NPC297600
0.9143 High Similarity NPC326193
0.9143 High Similarity NPC321148
0.9143 High Similarity NPC323884
0.9137 High Similarity NPC471587
0.913 High Similarity NPC131130
0.913 High Similarity NPC243528
0.913 High Similarity NPC251681
0.913 High Similarity NPC21350
0.9124 High Similarity NPC156910
0.9118 High Similarity NPC164136
0.9118 High Similarity NPC286336
0.9118 High Similarity NPC125920
0.9104 High Similarity NPC279566
0.9098 High Similarity NPC212379
0.9098 High Similarity NPC69235
0.9091 High Similarity NPC128428
0.9091 High Similarity NPC305518
0.9065 High Similarity NPC470211
0.9065 High Similarity NPC477956
0.9065 High Similarity NPC139554
0.9065 High Similarity NPC472366
0.9065 High Similarity NPC23257
0.9058 High Similarity NPC322301
0.9058 High Similarity NPC23870
0.9058 High Similarity NPC255801
0.9051 High Similarity NPC84699
0.9051 High Similarity NPC60667
0.9044 High Similarity NPC192304
0.9044 High Similarity NPC242294
0.9044 High Similarity NPC56031
0.9044 High Similarity NPC337373
0.9044 High Similarity NPC27643
0.9044 High Similarity NPC263670
0.9044 High Similarity NPC472365
0.9044 High Similarity NPC188646
0.9044 High Similarity NPC93756
0.9044 High Similarity NPC108113
0.9044 High Similarity NPC312318
0.9044 High Similarity NPC139813
0.9044 High Similarity NPC175098
0.9037 High Similarity NPC186097
0.9037 High Similarity NPC475009
0.9037 High Similarity NPC475008
0.903 High Similarity NPC186628
0.9015 High Similarity NPC328983
0.9014 High Similarity NPC328623
0.9014 High Similarity NPC476055
0.9014 High Similarity NPC282957
0.9014 High Similarity NPC194949
0.9 High Similarity NPC326109
0.9 High Similarity NPC265178
0.9 High Similarity NPC253822
0.9 High Similarity NPC213659
0.9 High Similarity NPC172250
0.9 High Similarity NPC144118
0.9 High Similarity NPC159275
0.9 High Similarity NPC204985
0.9 High Similarity NPC477272
0.9 High Similarity NPC80962
0.9 High Similarity NPC219917
0.9 High Similarity NPC241100
0.9 High Similarity NPC259166
0.9 High Similarity NPC48624
0.9 High Similarity NPC215311
0.8993 High Similarity NPC470668
0.8993 High Similarity NPC471620
0.8993 High Similarity NPC470672
0.8993 High Similarity NPC474487
0.8993 High Similarity NPC54820
0.8993 High Similarity NPC470671
0.8993 High Similarity NPC474504
0.8993 High Similarity NPC180501
0.8993 High Similarity NPC268178
0.8993 High Similarity NPC470669
0.8978 High Similarity NPC144027
0.8978 High Similarity NPC236974
0.8971 High Similarity NPC10971
0.8971 High Similarity NPC212631
0.8971 High Similarity NPC285054
0.8971 High Similarity NPC257756
0.8971 High Similarity NPC129132
0.8971 High Similarity NPC87231
0.8971 High Similarity NPC205468
0.8971 High Similarity NPC203817
0.8947 High Similarity NPC329205
0.8947 High Similarity NPC316625
0.8944 High Similarity NPC11700
0.8944 High Similarity NPC473812
0.8944 High Similarity NPC185276
0.8944 High Similarity NPC473813
0.8936 High Similarity NPC470089
0.8936 High Similarity NPC40118
0.8936 High Similarity NPC96408
0.8936 High Similarity NPC232021
0.8936 High Similarity NPC470087
0.8936 High Similarity NPC279650
0.8936 High Similarity NPC55832
0.8936 High Similarity NPC110969
0.8936 High Similarity NPC17170
0.8936 High Similarity NPC126534
0.8936 High Similarity NPC166689
0.8936 High Similarity NPC321980
0.8936 High Similarity NPC156190
0.8936 High Similarity NPC26051
0.8936 High Similarity NPC26238
0.8936 High Similarity NPC282300
0.8936 High Similarity NPC52789
0.8936 High Similarity NPC268204
0.8936 High Similarity NPC258630
0.8936 High Similarity NPC469404
0.8929 High Similarity NPC96565
0.8929 High Similarity NPC270913
0.8929 High Similarity NPC216978
0.8929 High Similarity NPC301217
0.8929 High Similarity NPC78913
0.8929 High Similarity NPC217186
0.8929 High Similarity NPC18260
0.8929 High Similarity NPC53181
0.8929 High Similarity NPC295384
0.8929 High Similarity NPC303633
0.8929 High Similarity NPC55018
0.8929 High Similarity NPC220062
0.8929 High Similarity NPC283429
0.8913 High Similarity NPC101752
0.8897 High Similarity NPC189106
0.8897 High Similarity NPC31872
0.8897 High Similarity NPC473584
0.8897 High Similarity NPC313618
0.8897 High Similarity NPC112192
0.8897 High Similarity NPC262359
0.8897 High Similarity NPC308037
0.8897 High Similarity NPC164236
0.8897 High Similarity NPC66384
0.8897 High Similarity NPC309717
0.8897 High Similarity NPC64359
0.8897 High Similarity NPC128348
0.8897 High Similarity NPC475589
0.8889 High Similarity NPC10990
0.8889 High Similarity NPC300988
0.8881 High Similarity NPC80694
0.8881 High Similarity NPC473014
0.8881 High Similarity NPC472447
0.8881 High Similarity NPC235217
0.8881 High Similarity NPC472446
0.8881 High Similarity NPC236766
0.8881 High Similarity NPC186098
0.8881 High Similarity NPC197252
0.8873 High Similarity NPC125855
0.8873 High Similarity NPC228504
0.8873 High Similarity NPC107572
0.8873 High Similarity NPC167624
0.8873 High Similarity NPC227579
0.8873 High Similarity NPC324436
0.8873 High Similarity NPC220998
0.8873 High Similarity NPC223500
0.8873 High Similarity NPC11561

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477056 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
0.9474 High Similarity NPD6651 Approved
0.8897 High Similarity NPD1240 Approved
0.8794 High Similarity NPD2800 Approved
0.8768 High Similarity NPD1607 Approved
0.875 High Similarity NPD4378 Clinical (unspecified phase)
0.8643 High Similarity NPD1510 Phase 2
0.8621 High Similarity NPD7410 Clinical (unspecified phase)
0.8521 High Similarity NPD1552 Clinical (unspecified phase)
0.8521 High Similarity NPD1550 Clinical (unspecified phase)
0.8477 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD1549 Phase 2
0.8456 Intermediate Similarity NPD4380 Phase 2
0.84 Intermediate Similarity NPD7411 Suspended
0.8366 Intermediate Similarity NPD7075 Discontinued
0.8333 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8289 Intermediate Similarity NPD7819 Suspended
0.8289 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD2796 Approved
0.817 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD2533 Approved
0.8121 Intermediate Similarity NPD2532 Approved
0.8121 Intermediate Similarity NPD2534 Approved
0.8105 Intermediate Similarity NPD6801 Discontinued
0.8092 Intermediate Similarity NPD6599 Discontinued
0.8069 Intermediate Similarity NPD2935 Discontinued
0.8054 Intermediate Similarity NPD6799 Approved
0.8 Intermediate Similarity NPD7473 Discontinued
0.7987 Intermediate Similarity NPD1934 Approved
0.7975 Intermediate Similarity NPD6959 Discontinued
0.7973 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7958 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7949 Intermediate Similarity NPD7768 Phase 2
0.7937 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD2801 Approved
0.7933 Intermediate Similarity NPD1511 Approved
0.7925 Intermediate Similarity NPD6232 Discontinued
0.7905 Intermediate Similarity NPD1243 Approved
0.7905 Intermediate Similarity NPD2654 Approved
0.7905 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7901 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD3750 Approved
0.7834 Intermediate Similarity NPD3882 Suspended
0.7829 Intermediate Similarity NPD1512 Approved
0.7823 Intermediate Similarity NPD6099 Approved
0.7823 Intermediate Similarity NPD6100 Approved
0.777 Intermediate Similarity NPD3972 Approved
0.7755 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD6166 Phase 2
0.7716 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD1551 Phase 2
0.7697 Intermediate Similarity NPD5953 Discontinued
0.7697 Intermediate Similarity NPD7390 Discontinued
0.7683 Intermediate Similarity NPD7286 Phase 2
0.7662 Intermediate Similarity NPD920 Approved
0.7658 Intermediate Similarity NPD3817 Phase 2
0.7651 Intermediate Similarity NPD2344 Approved
0.7636 Intermediate Similarity NPD7074 Phase 3
0.7635 Intermediate Similarity NPD2799 Discontinued
0.7632 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD943 Approved
0.7576 Intermediate Similarity NPD7054 Approved
0.7569 Intermediate Similarity NPD6832 Phase 2
0.7562 Intermediate Similarity NPD3749 Approved
0.7548 Intermediate Similarity NPD5403 Approved
0.7532 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD7472 Approved
0.7518 Intermediate Similarity NPD9493 Approved
0.7518 Intermediate Similarity NPD9717 Approved
0.7517 Intermediate Similarity NPD3748 Approved
0.7515 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4628 Phase 3
0.75 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD5711 Approved
0.7485 Intermediate Similarity NPD5710 Approved
0.7483 Intermediate Similarity NPD1203 Approved
0.7469 Intermediate Similarity NPD5494 Approved
0.7452 Intermediate Similarity NPD7458 Discontinued
0.7451 Intermediate Similarity NPD2309 Approved
0.7447 Intermediate Similarity NPD422 Phase 1
0.744 Intermediate Similarity NPD7251 Discontinued
0.744 Intermediate Similarity NPD6559 Discontinued
0.7431 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD2798 Approved
0.7419 Intermediate Similarity NPD5401 Approved
0.741 Intermediate Similarity NPD9545 Approved
0.7396 Intermediate Similarity NPD7808 Phase 3
0.7381 Intermediate Similarity NPD6797 Phase 2
0.7347 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD2313 Discontinued
0.7342 Intermediate Similarity NPD3226 Approved
0.7337 Intermediate Similarity NPD6104 Discontinued
0.7333 Intermediate Similarity NPD3926 Phase 2
0.7325 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD230 Phase 1
0.7301 Intermediate Similarity NPD919 Approved
0.7273 Intermediate Similarity NPD7003 Approved
0.723 Intermediate Similarity NPD3268 Approved
0.7222 Intermediate Similarity NPD5402 Approved
0.7219 Intermediate Similarity NPD1729 Discontinued
0.7212 Intermediate Similarity NPD1247 Approved
0.7211 Intermediate Similarity NPD4908 Phase 1
0.7203 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD5124 Phase 1
0.72 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD1241 Discontinued
0.7171 Intermediate Similarity NPD7033 Discontinued
0.7171 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD1548 Phase 1
0.716 Intermediate Similarity NPD5844 Phase 1
0.7143 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD1164 Approved
0.7123 Intermediate Similarity NPD2797 Approved
0.7114 Intermediate Similarity NPD1296 Phase 2
0.7103 Intermediate Similarity NPD4749 Approved
0.7083 Intermediate Similarity NPD1201 Approved
0.7083 Intermediate Similarity NPD2403 Approved
0.7083 Intermediate Similarity NPD1610 Phase 2
0.7079 Intermediate Similarity NPD4360 Phase 2
0.7079 Intermediate Similarity NPD4363 Phase 3
0.7078 Intermediate Similarity NPD2346 Discontinued
0.7076 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD1465 Phase 2
0.7055 Intermediate Similarity NPD1876 Approved
0.7039 Intermediate Similarity NPD4361 Phase 2
0.7039 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD5405 Approved
0.7013 Intermediate Similarity NPD5406 Approved
0.7013 Intermediate Similarity NPD5404 Approved
0.7013 Intermediate Similarity NPD5408 Approved
0.7007 Intermediate Similarity NPD1470 Approved
0.7 Intermediate Similarity NPD411 Approved
0.6992 Remote Similarity NPD940 Approved
0.6992 Remote Similarity NPD846 Approved
0.6981 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6978 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6974 Remote Similarity NPD447 Suspended
0.6959 Remote Similarity NPD1019 Discontinued
0.6949 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6948 Remote Similarity NPD4308 Phase 3
0.6944 Remote Similarity NPD4626 Approved
0.6939 Remote Similarity NPD3225 Approved
0.6939 Remote Similarity NPD8651 Approved
0.6934 Remote Similarity NPD74 Approved
0.6934 Remote Similarity NPD9266 Approved
0.6933 Remote Similarity NPD3027 Phase 3
0.6933 Remote Similarity NPD4625 Phase 3
0.6932 Remote Similarity NPD8434 Phase 2
0.6918 Remote Similarity NPD1608 Approved
0.6918 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6913 Remote Similarity NPD9494 Approved
0.6909 Remote Similarity NPD4288 Approved
0.6909 Remote Similarity NPD2296 Approved
0.6901 Remote Similarity NPD405 Clinical (unspecified phase)
0.6901 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6892 Remote Similarity NPD3266 Approved
0.6892 Remote Similarity NPD3267 Approved
0.689 Remote Similarity NPD37 Approved
0.6887 Remote Similarity NPD3764 Approved
0.6875 Remote Similarity NPD1651 Approved
0.6871 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6864 Remote Similarity NPD7229 Phase 3
0.6863 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6863 Remote Similarity NPD1933 Approved
0.6861 Remote Similarity NPD9264 Approved
0.6861 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6861 Remote Similarity NPD9267 Approved
0.6861 Remote Similarity NPD9263 Approved
0.6859 Remote Similarity NPD1471 Phase 3
0.6848 Remote Similarity NPD5760 Phase 2
0.6848 Remote Similarity NPD5761 Phase 2
0.6845 Remote Similarity NPD7584 Approved
0.6839 Remote Similarity NPD3658 Clinical (unspecified phase)
0.6828 Remote Similarity NPD1778 Approved
0.6824 Remote Similarity NPD1283 Approved
0.6815 Remote Similarity NPD2424 Discontinued
0.6812 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6803 Remote Similarity NPD9269 Phase 2
0.68 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6797 Remote Similarity NPD3142 Approved
0.6797 Remote Similarity NPD3140 Approved
0.6786 Remote Similarity NPD6234 Discontinued
0.6784 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6781 Remote Similarity NPD3847 Discontinued
0.6776 Remote Similarity NPD6798 Discontinued
0.6772 Remote Similarity NPD8151 Discontinued
0.677 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6766 Remote Similarity NPD4965 Approved
0.6766 Remote Similarity NPD4966 Approved
0.6766 Remote Similarity NPD4967 Phase 2
0.6763 Remote Similarity NPD4750 Phase 3
0.6761 Remote Similarity NPD8313 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL552516
ZINC  

Physicochemical Properties

Molecular Weight:  528.27
ALogP:  -0.7196
MLogP:  3.88
XLogP:  5.369
# Rotatable Bonds:  23
Polar Surface Area:  141.36
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  38

Download Data

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