Natural Product: NPC117122

Natural Product ID:  NPC117122
Common Name:   Lancifoicacid A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H48O5
Standard InCHIKey:  YLZNPKONASUZEQ-RRKDZSPHSA-N
Standard InCHI:  InChI=1S/C30H48O5/c1-19(8-7-9-20(2)25(33)34)21-12-14-28(6)23-11-10-22(26(3,4)35)29(15-13-24(31)32)18-30(23,29)17-16-27(21,28)5/h9,19,21-23,35H,7-8,10-18H2,1-6H3,(H,31,32)(H,33,34)/b20-9-/t19-,21-,22+,23+,27-,28+,29-,30+/m1/s1
Canonical SMILES:  OC(=O)CC[C@@]12C[C@@]32CC[C@]2([C@@]([C@@H]3CC[C@H]1C(O)(C)C)(C)CC[C@@H]2[C@@H](CC/C=C(C(=O)O)/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
NPO19507 Schisandra lancifolia Species Schisandraceae Eukaryota PMID[16499331]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1452 Cell Line C8166 Homo sapiens CC50 = 104.9 ug/ml 19093848
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 16.2 ug/ml 26697718

  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 NPC117122 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
0.9756 High Similarity NPC186975
0.9639 High Similarity NPC236618
0.9518 High Similarity NPC472869
0.9412 High Similarity NPC66344
0.9294 High Similarity NPC472870
0.9277 High Similarity NPC164577
0.9277 High Similarity NPC19849
0.9277 High Similarity NPC472864
0.9195 High Similarity NPC470113
0.9186 High Similarity NPC262043
0.9176 High Similarity NPC136948
0.9167 High Similarity NPC269638
0.9157 High Similarity NPC97913
0.9101 High Similarity NPC476174
0.908 High Similarity NPC472866
0.9048 High Similarity NPC472865
0.9 High Similarity NPC29152
0.8977 High Similarity NPC476187
0.8953 High Similarity NPC128644
0.8941 High Similarity NPC60350
0.8902 High Similarity NPC158846
0.8901 High Similarity NPC156546
0.8889 High Similarity NPC293052
0.8876 High Similarity NPC472871
0.8824 High Similarity NPC16287
0.8824 High Similarity NPC178025
0.8824 High Similarity NPC248758
0.8824 High Similarity NPC181743
0.8824 High Similarity NPC194937
0.8824 High Similarity NPC476038
0.878 High Similarity NPC198240
0.8764 High Similarity NPC204341
0.8764 High Similarity NPC474018
0.8764 High Similarity NPC473986
0.8721 High Similarity NPC29447
0.8721 High Similarity NPC283733
0.871 High Similarity NPC470074
0.869 High Similarity NPC477372
0.8659 High Similarity NPC61952
0.8602 High Similarity NPC98868
0.8588 High Similarity NPC320514
0.8588 High Similarity NPC472239
0.8554 High Similarity NPC321690
0.8523 High Similarity NPC476293
0.8523 High Similarity NPC476409
0.8488 Intermediate Similarity NPC279639
0.8488 Intermediate Similarity NPC3856
0.8488 Intermediate Similarity NPC477373
0.8488 Intermediate Similarity NPC310470
0.8471 Intermediate Similarity NPC147066
0.8471 Intermediate Similarity NPC278459
0.8462 Intermediate Similarity NPC476304
0.8452 Intermediate Similarity NPC477371
0.8427 Intermediate Similarity NPC48107
0.8421 Intermediate Similarity NPC118174
0.8409 Intermediate Similarity NPC475007
0.8391 Intermediate Similarity NPC165064
0.8387 Intermediate Similarity NPC301534
0.8387 Intermediate Similarity NPC250757
0.8387 Intermediate Similarity NPC472941
0.8387 Intermediate Similarity NPC456
0.8372 Intermediate Similarity NPC133391
0.8372 Intermediate Similarity NPC469804
0.8372 Intermediate Similarity NPC469799
0.8372 Intermediate Similarity NPC3511
0.8372 Intermediate Similarity NPC469806
0.8372 Intermediate Similarity NPC142253
0.8372 Intermediate Similarity NPC472867
0.8372 Intermediate Similarity NPC469805
0.837 Intermediate Similarity NPC124207
0.837 Intermediate Similarity NPC476186
0.8352 Intermediate Similarity NPC23217
0.8352 Intermediate Similarity NPC110923
0.8352 Intermediate Similarity NPC74296
0.8333 Intermediate Similarity NPC179028
0.8333 Intermediate Similarity NPC214387
0.8313 Intermediate Similarity NPC20466
0.8295 Intermediate Similarity NPC8571
0.8295 Intermediate Similarity NPC142649
0.828 Intermediate Similarity NPC171395
0.828 Intermediate Similarity NPC33473
0.8276 Intermediate Similarity NPC168188
0.8276 Intermediate Similarity NPC472740
0.8276 Intermediate Similarity NPC470015
0.8276 Intermediate Similarity NPC167103
0.8276 Intermediate Similarity NPC49019
0.8256 Intermediate Similarity NPC201912
0.8256 Intermediate Similarity NPC40228
0.8256 Intermediate Similarity NPC38350
0.8247 Intermediate Similarity NPC476237
0.8242 Intermediate Similarity NPC477147
0.8242 Intermediate Similarity NPC477149
0.8235 Intermediate Similarity NPC215843
0.8229 Intermediate Similarity NPC282524
0.8222 Intermediate Similarity NPC104560
0.8222 Intermediate Similarity NPC72397
0.8214 Intermediate Similarity NPC132542
0.8214 Intermediate Similarity NPC66105
0.8214 Intermediate Similarity NPC97377
0.8211 Intermediate Similarity NPC235464
0.8211 Intermediate Similarity NPC166745
0.8211 Intermediate Similarity NPC197386
0.8202 Intermediate Similarity NPC70661
0.8193 Intermediate Similarity NPC469803
0.8193 Intermediate Similarity NPC472327
0.8193 Intermediate Similarity NPC476795
0.8191 Intermediate Similarity NPC114743
0.8191 Intermediate Similarity NPC195366
0.8182 Intermediate Similarity NPC87552
0.8172 Intermediate Similarity NPC299100
0.8172 Intermediate Similarity NPC8993
0.8161 Intermediate Similarity NPC193347
0.8161 Intermediate Similarity NPC260956
0.8152 Intermediate Similarity NPC473998
0.8152 Intermediate Similarity NPC475806
0.814 Intermediate Similarity NPC37038
0.814 Intermediate Similarity NPC469798
0.814 Intermediate Similarity NPC469797
0.8132 Intermediate Similarity NPC174342
0.8132 Intermediate Similarity NPC262858
0.8132 Intermediate Similarity NPC128496
0.8132 Intermediate Similarity NPC309603
0.8132 Intermediate Similarity NPC146554
0.8132 Intermediate Similarity NPC310236
0.8132 Intermediate Similarity NPC472240
0.8132 Intermediate Similarity NPC473999
0.8125 Intermediate Similarity NPC476274
0.8125 Intermediate Similarity NPC241221
0.8125 Intermediate Similarity NPC287833
0.8125 Intermediate Similarity NPC476303
0.8118 Intermediate Similarity NPC74410
0.8118 Intermediate Similarity NPC239098
0.8118 Intermediate Similarity NPC321514
0.8118 Intermediate Similarity NPC471409
0.8118 Intermediate Similarity NPC275494
0.8111 Intermediate Similarity NPC96496
0.8105 Intermediate Similarity NPC476253
0.8105 Intermediate Similarity NPC107243
0.8105 Intermediate Similarity NPC253826
0.8095 Intermediate Similarity NPC180886
0.8095 Intermediate Similarity NPC246445
0.809 Intermediate Similarity NPC94531
0.809 Intermediate Similarity NPC311702
0.809 Intermediate Similarity NPC471224
0.809 Intermediate Similarity NPC123319
0.809 Intermediate Similarity NPC65661
0.8085 Intermediate Similarity NPC173875
0.8085 Intermediate Similarity NPC180950
0.8085 Intermediate Similarity NPC174948
0.8085 Intermediate Similarity NPC469995
0.8085 Intermediate Similarity NPC318282
0.8085 Intermediate Similarity NPC84383
0.8072 Intermediate Similarity NPC18819
0.8072 Intermediate Similarity NPC46610
0.8068 Intermediate Similarity NPC83569
0.8068 Intermediate Similarity NPC477852
0.8068 Intermediate Similarity NPC215893
0.8068 Intermediate Similarity NPC69279
0.8065 Intermediate Similarity NPC476416
0.8065 Intermediate Similarity NPC474736
0.8065 Intermediate Similarity NPC38232
0.8061 Intermediate Similarity NPC72151
0.8061 Intermediate Similarity NPC176883
0.8061 Intermediate Similarity NPC112009
0.8061 Intermediate Similarity NPC180204
0.8046 Intermediate Similarity NPC471898
0.8046 Intermediate Similarity NPC90055
0.8046 Intermediate Similarity NPC232625
0.8043 Intermediate Similarity NPC476437
0.8043 Intermediate Similarity NPC469400
0.8043 Intermediate Similarity NPC476369
0.8043 Intermediate Similarity NPC48010
0.8041 Intermediate Similarity NPC472924
0.8041 Intermediate Similarity NPC224720
0.8041 Intermediate Similarity NPC476240
0.8041 Intermediate Similarity NPC99411
0.8041 Intermediate Similarity NPC476223
0.8023 Intermediate Similarity NPC231431
0.8023 Intermediate Similarity NPC196827
0.8023 Intermediate Similarity NPC274996
0.8022 Intermediate Similarity NPC193843
0.8022 Intermediate Similarity NPC249889
0.8021 Intermediate Similarity NPC57079
0.8021 Intermediate Similarity NPC108368
0.8 Intermediate Similarity NPC328371
0.8 Intermediate Similarity NPC471035
0.8 Intermediate Similarity NPC165711
0.8 Intermediate Similarity NPC235053
0.8 Intermediate Similarity NPC212661
0.8 Intermediate Similarity NPC155011
0.798 Intermediate Similarity NPC472868
0.7979 Intermediate Similarity NPC119562
0.7979 Intermediate Similarity NPC279410
0.7979 Intermediate Similarity NPC469406
0.7978 Intermediate Similarity NPC85774
0.7978 Intermediate Similarity NPC476412
0.7978 Intermediate Similarity NPC144258
0.7978 Intermediate Similarity NPC214043
0.7978 Intermediate Similarity NPC96095
0.7976 Intermediate Similarity NPC39362

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC117122 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
0.8161 Intermediate Similarity NPD4221 Approved
0.8161 Intermediate Similarity NPD4223 Phase 3
0.809 Intermediate Similarity NPD5329 Approved
0.7978 Intermediate Similarity NPD4197 Approved
0.7957 Intermediate Similarity NPD5284 Approved
0.7957 Intermediate Similarity NPD5281 Approved
0.7935 Intermediate Similarity NPD6673 Approved
0.7935 Intermediate Similarity NPD6080 Approved
0.7935 Intermediate Similarity NPD6904 Approved
0.7917 Intermediate Similarity NPD6083 Phase 2
0.7917 Intermediate Similarity NPD6084 Phase 2
0.7895 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD6672 Approved
0.7826 Intermediate Similarity NPD5737 Approved
0.7802 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7802 Intermediate Similarity NPD4689 Approved
0.7802 Intermediate Similarity NPD4623 Approved
0.7802 Intermediate Similarity NPD4519 Discontinued
0.7802 Intermediate Similarity NPD4693 Phase 3
0.7802 Intermediate Similarity NPD4690 Approved
0.7802 Intermediate Similarity NPD4138 Approved
0.7802 Intermediate Similarity NPD5690 Phase 2
0.7802 Intermediate Similarity NPD5205 Approved
0.7802 Intermediate Similarity NPD4688 Approved
0.7766 Intermediate Similarity NPD5693 Phase 1
0.7755 Intermediate Similarity NPD6404 Discontinued
0.7753 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD4753 Phase 2
0.7708 Intermediate Similarity NPD5695 Phase 3
0.7684 Intermediate Similarity NPD6399 Phase 3
0.7653 Intermediate Similarity NPD5696 Approved
0.7634 Intermediate Similarity NPD5208 Approved
0.7614 Intermediate Similarity NPD4195 Approved
0.7609 Intermediate Similarity NPD6409 Approved
0.7609 Intermediate Similarity NPD5330 Approved
0.7609 Intermediate Similarity NPD6098 Approved
0.7609 Intermediate Similarity NPD5280 Approved
0.7609 Intermediate Similarity NPD7521 Approved
0.7609 Intermediate Similarity NPD7334 Approved
0.7609 Intermediate Similarity NPD6684 Approved
0.7609 Intermediate Similarity NPD7146 Approved
0.7609 Intermediate Similarity NPD4694 Approved
0.7604 Intermediate Similarity NPD6001 Approved
0.7582 Intermediate Similarity NPD3666 Approved
0.7582 Intermediate Similarity NPD3133 Approved
0.7582 Intermediate Similarity NPD3665 Phase 1
0.7582 Intermediate Similarity NPD4786 Approved
0.7579 Intermediate Similarity NPD6079 Approved
0.7579 Intermediate Similarity NPD6050 Approved
0.7576 Intermediate Similarity NPD7640 Approved
0.7576 Intermediate Similarity NPD7639 Approved
0.7553 Intermediate Similarity NPD5328 Approved
0.7528 Intermediate Similarity NPD4695 Discontinued
0.7526 Intermediate Similarity NPD5210 Approved
0.7526 Intermediate Similarity NPD4629 Approved
0.75 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7115 Discovery
0.75 Intermediate Similarity NPD3617 Approved
0.7475 Intermediate Similarity NPD7638 Approved
0.7474 Intermediate Similarity NPD5692 Phase 3
0.7473 Intermediate Similarity NPD4788 Approved
0.7447 Intermediate Similarity NPD6903 Approved
0.7447 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD5211 Phase 2
0.7419 Intermediate Similarity NPD3618 Phase 1
0.7404 Intermediate Similarity NPD6899 Approved
0.7404 Intermediate Similarity NPD6881 Approved
0.7396 Intermediate Similarity NPD5694 Approved
0.7396 Intermediate Similarity NPD7515 Phase 2
0.7379 Intermediate Similarity NPD7128 Approved
0.7379 Intermediate Similarity NPD5739 Approved
0.7379 Intermediate Similarity NPD6675 Approved
0.7379 Intermediate Similarity NPD6402 Approved
0.7368 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD3667 Approved
0.732 Intermediate Similarity NPD4202 Approved
0.732 Intermediate Similarity NPD5133 Approved
0.7312 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD5697 Approved
0.7294 Intermediate Similarity NPD4747 Approved
0.7294 Intermediate Similarity NPD4691 Approved
0.7292 Intermediate Similarity NPD5207 Approved
0.7282 Intermediate Similarity NPD5141 Approved
0.7273 Intermediate Similarity NPD5221 Approved
0.7273 Intermediate Similarity NPD5222 Approved
0.7273 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD6883 Approved
0.7264 Intermediate Similarity NPD7290 Approved
0.7264 Intermediate Similarity NPD7102 Approved
0.7245 Intermediate Similarity NPD7748 Approved
0.7238 Intermediate Similarity NPD6011 Approved
0.7238 Intermediate Similarity NPD7320 Approved
0.7234 Intermediate Similarity NPD5279 Phase 3
0.7228 Intermediate Similarity NPD5286 Approved
0.7228 Intermediate Similarity NPD4696 Approved
0.7228 Intermediate Similarity NPD5285 Approved
0.7209 Intermediate Similarity NPD4243 Approved
0.72 Intermediate Similarity NPD5959 Approved
0.72 Intermediate Similarity NPD5173 Approved
0.72 Intermediate Similarity NPD4755 Approved
0.7196 Intermediate Similarity NPD6617 Approved
0.7196 Intermediate Similarity NPD6869 Approved
0.7196 Intermediate Similarity NPD6649 Approved
0.7196 Intermediate Similarity NPD8130 Phase 1
0.7196 Intermediate Similarity NPD6847 Approved
0.7196 Intermediate Similarity NPD6650 Approved
0.7176 Intermediate Similarity NPD4137 Phase 3
0.717 Intermediate Similarity NPD6373 Approved
0.717 Intermediate Similarity NPD6372 Approved
0.717 Intermediate Similarity NPD6014 Approved
0.717 Intermediate Similarity NPD6013 Approved
0.717 Intermediate Similarity NPD6012 Approved
0.7158 Intermediate Similarity NPD3573 Approved
0.7157 Intermediate Similarity NPD5223 Approved
0.7143 Intermediate Similarity NPD5701 Approved
0.713 Intermediate Similarity NPD8297 Approved
0.713 Intermediate Similarity NPD6882 Approved
0.7128 Intermediate Similarity NPD5363 Approved
0.7113 Intermediate Similarity NPD4096 Approved
0.7113 Intermediate Similarity NPD5785 Approved
0.71 Intermediate Similarity NPD7614 Phase 1
0.71 Intermediate Similarity NPD4697 Phase 3
0.7097 Intermediate Similarity NPD5362 Discontinued
0.7087 Intermediate Similarity NPD5091 Approved
0.7087 Intermediate Similarity NPD5224 Approved
0.7087 Intermediate Similarity NPD5226 Approved
0.7087 Intermediate Similarity NPD4633 Approved
0.7087 Intermediate Similarity NPD5225 Approved
0.7065 Intermediate Similarity NPD4692 Approved
0.7065 Intermediate Similarity NPD4139 Approved
0.7059 Intermediate Similarity NPD4700 Approved
0.7045 Intermediate Similarity NPD4785 Approved
0.7045 Intermediate Similarity NPD5733 Approved
0.7045 Intermediate Similarity NPD4784 Approved
0.7045 Intermediate Similarity NPD4058 Approved
0.7041 Intermediate Similarity NPD8034 Phase 2
0.7041 Intermediate Similarity NPD8035 Phase 2
0.7041 Intermediate Similarity NPD7637 Suspended
0.7037 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD7902 Approved
0.7021 Intermediate Similarity NPD3668 Phase 3
0.7019 Intermediate Similarity NPD5175 Approved
0.7019 Intermediate Similarity NPD6052 Approved
0.7019 Intermediate Similarity NPD5174 Approved
0.7011 Intermediate Similarity NPD6081 Approved
0.701 Intermediate Similarity NPD6051 Approved
0.7 Intermediate Similarity NPD5654 Approved
0.6981 Remote Similarity NPD6614 Approved
0.6961 Remote Similarity NPD4225 Approved
0.6957 Remote Similarity NPD7525 Registered
0.6923 Remote Similarity NPD7632 Discontinued
0.6916 Remote Similarity NPD6686 Approved
0.6909 Remote Similarity NPD4632 Approved
0.6907 Remote Similarity NPD4518 Approved
0.6887 Remote Similarity NPD6008 Approved
0.6857 Remote Similarity NPD4754 Approved
0.6854 Remote Similarity NPD4687 Approved
0.6854 Remote Similarity NPD6924 Approved
0.6854 Remote Similarity NPD6926 Approved
0.6824 Remote Similarity NPD4224 Phase 2
0.6818 Remote Similarity NPD5276 Approved
0.6814 Remote Similarity NPD6335 Approved
0.681 Remote Similarity NPD7604 Phase 2
0.6809 Remote Similarity NPD4269 Approved
0.6809 Remote Similarity NPD4270 Approved
0.6786 Remote Similarity NPD6274 Approved
0.6786 Remote Similarity NPD6868 Approved
0.6778 Remote Similarity NPD6942 Approved
0.6778 Remote Similarity NPD4190 Phase 3
0.6778 Remote Similarity NPD5275 Approved
0.6778 Remote Similarity NPD7339 Approved
0.6774 Remote Similarity NPD4819 Approved
0.6774 Remote Similarity NPD6931 Approved
0.6774 Remote Similarity NPD6930 Phase 2
0.6774 Remote Similarity NPD4821 Approved
0.6774 Remote Similarity NPD4820 Approved
0.6774 Remote Similarity NPD4822 Approved
0.6771 Remote Similarity NPD1696 Phase 3
0.6771 Remote Similarity NPD1694 Approved
0.6759 Remote Similarity NPD4730 Approved
0.6759 Remote Similarity NPD4729 Approved
0.6759 Remote Similarity NPD5128 Approved
0.6754 Remote Similarity NPD7100 Approved
0.6754 Remote Similarity NPD7101 Approved
0.6737 Remote Similarity NPD5332 Approved
0.6737 Remote Similarity NPD6695 Phase 3
0.6737 Remote Similarity NPD5331 Approved
0.6733 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6733 Remote Similarity NPD7900 Approved
0.6729 Remote Similarity NPD4767 Approved
0.6729 Remote Similarity NPD4768 Approved
0.6726 Remote Similarity NPD6009 Approved
0.6726 Remote Similarity NPD6317 Approved
0.6703 Remote Similarity NPD6117 Approved
0.6703 Remote Similarity NPD6933 Approved
0.6702 Remote Similarity NPD4790 Discontinued
0.6702 Remote Similarity NPD6902 Approved
0.6667 Remote Similarity NPD5360 Phase 3
0.6667 Remote Similarity NPD6053 Discontinued
0.6667 Remote Similarity NPD6314 Approved

Structure

External Identifiers

PubChem CID   11663148
ChEMBL   CHEMBL519944
ZINC  

Physicochemical Properties

Molecular Weight:  488.35
ALogP:  2.3257
MLogP:  4.21
XLogP:  9.226
# Rotatable Bonds:  18
Polar Surface Area:  94.83
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  35

Download Data

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