Natural Product: NPC174367

Natural Product ID:  NPC174367
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C38H54O14
Standard InCHIKey:  IEDTUGIKHMRUCE-LEUIUVPSSA-N
Standard InCHI:  InChI=1S/C38H54O14/c1-17(2)11-19(42)12-20-28-23(50-32(20)47)14-38(16-40)21-7-8-25-35(4,22(21)13-26(43)37(28,38)6)10-9-27(49-18(3)41)36(25,5)34(48)52-33-31(46)30(45)29(44)24(15-39)51-33/h7,11,20,22-31,33,39-40,43-46H,8-10,12-16H2,1-6H3/t20-,22+,23+,24-,25-,26+,27-,28-,29-,30+,31-,33+,35-,36+,37+,38+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC(=O)[C@]2(C)[C@@H](CC[C@]3([C@H]2CC=C2[C@@H]3C[C@@H]([C@@]3([C@]2(CO)C[C@H]2[C@H]3[C@H](C(=O)O2)CC(=O)C=C(C)C)C)O)C)OC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
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
NPO1859 Lantana camara Species Verbenaceae Eukaryota Leaves PMID[9834145]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT670 Individual Protein Thrombin Homo sapiens IC50 = 130 nM 8340925

  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 NPC174367 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 NPC47113
0.9174 High Similarity NPC311534
0.9043 High Similarity NPC52634
0.9043 High Similarity NPC260665
0.9024 High Similarity NPC173347
0.8983 High Similarity NPC161738
0.8983 High Similarity NPC319570
0.8934 High Similarity NPC305496
0.8926 High Similarity NPC473505
0.8917 High Similarity NPC28532
0.8908 High Similarity NPC471406
0.8898 High Similarity NPC239293
0.8833 High Similarity NPC182900
0.8833 High Similarity NPC475182
0.8833 High Similarity NPC249553
0.8833 High Similarity NPC202051
0.8803 High Similarity NPC471398
0.8803 High Similarity NPC243354
0.88 High Similarity NPC471855
0.878 High Similarity NPC471357
0.878 High Similarity NPC146456
0.878 High Similarity NPC469757
0.878 High Similarity NPC117702
0.878 High Similarity NPC42399
0.877 High Similarity NPC318135
0.877 High Similarity NPC30188
0.877 High Similarity NPC248202
0.877 High Similarity NPC475194
0.877 High Similarity NPC177820
0.876 High Similarity NPC305771
0.876 High Similarity NPC169816
0.876 High Similarity NPC94072
0.876 High Similarity NPC156789
0.876 High Similarity NPC15918
0.8739 High Similarity NPC86020
0.8739 High Similarity NPC475632
0.873 High Similarity NPC475487
0.8729 High Similarity NPC88945
0.8718 High Similarity NPC477944
0.8718 High Similarity NPC102619
0.8718 High Similarity NPC178981
0.871 High Similarity NPC245094
0.871 High Similarity NPC69273
0.871 High Similarity NPC168899
0.871 High Similarity NPC473620
0.871 High Similarity NPC293623
0.8707 High Similarity NPC285410
0.8707 High Similarity NPC263827
0.8707 High Similarity NPC250481
0.8699 High Similarity NPC285091
0.8696 High Similarity NPC246205
0.8696 High Similarity NPC118225
0.8689 High Similarity NPC27363
0.8689 High Similarity NPC160084
0.8689 High Similarity NPC256983
0.8667 High Similarity NPC477071
0.8655 High Similarity NPC477252
0.8655 High Similarity NPC473304
0.8644 High Similarity NPC74727
0.8644 High Similarity NPC473882
0.8644 High Similarity NPC477580
0.8644 High Similarity NPC116024
0.864 High Similarity NPC70542
0.864 High Similarity NPC17896
0.864 High Similarity NPC9499
0.864 High Similarity NPC471407
0.864 High Similarity NPC284406
0.864 High Similarity NPC469754
0.864 High Similarity NPC471360
0.864 High Similarity NPC471352
0.864 High Similarity NPC471359
0.864 High Similarity NPC469751
0.864 High Similarity NPC219085
0.864 High Similarity NPC476966
0.864 High Similarity NPC471358
0.864 High Similarity NPC86159
0.864 High Similarity NPC469752
0.864 High Similarity NPC469753
0.864 High Similarity NPC469755
0.864 High Similarity NPC197707
0.864 High Similarity NPC10823
0.864 High Similarity NPC471361
0.864 High Similarity NPC251866
0.864 High Similarity NPC6108
0.864 High Similarity NPC89514
0.864 High Similarity NPC180079
0.8629 High Similarity NPC240070
0.8629 High Similarity NPC329784
0.8621 High Similarity NPC114961
0.8621 High Similarity NPC475317
0.8621 High Similarity NPC101450
0.8621 High Similarity NPC52241
0.8621 High Similarity NPC154856
0.8621 High Similarity NPC129340
0.8621 High Similarity NPC27551
0.8618 High Similarity NPC473255
0.8618 High Similarity NPC473474
0.8618 High Similarity NPC130229
0.8609 High Similarity NPC295389
0.8607 High Similarity NPC471965
0.8607 High Similarity NPC475431
0.8595 High Similarity NPC475187
0.8595 High Similarity NPC241192
0.8583 High Similarity NPC146857
0.8583 High Similarity NPC116075
0.8583 High Similarity NPC247190
0.8583 High Similarity NPC469749
0.8583 High Similarity NPC297179
0.8583 High Similarity NPC32793
0.8571 High Similarity NPC241008
0.856 High Similarity NPC473888
0.8559 High Similarity NPC73455
0.8559 High Similarity NPC144068
0.8559 High Similarity NPC200944
0.8559 High Similarity NPC132668
0.8559 High Similarity NPC251309
0.8559 High Similarity NPC62696
0.8559 High Similarity NPC194273
0.8559 High Similarity NPC293038
0.8548 High Similarity NPC273962
0.8548 High Similarity NPC469750
0.8548 High Similarity NPC250556
0.8547 High Similarity NPC272242
0.8547 High Similarity NPC471243
0.8537 High Similarity NPC202666
0.8537 High Similarity NPC1980
0.8537 High Similarity NPC14617
0.8537 High Similarity NPC471961
0.8537 High Similarity NPC238005
0.8537 High Similarity NPC141196
0.8537 High Similarity NPC471964
0.8537 High Similarity NPC262199
0.8534 High Similarity NPC265655
0.8527 High Similarity NPC477236
0.8527 High Similarity NPC59288
0.8525 High Similarity NPC470921
0.8522 High Similarity NPC220974
0.8522 High Similarity NPC293512
0.8516 High Similarity NPC329636
0.8516 High Similarity NPC478069
0.8512 High Similarity NPC161065
0.8512 High Similarity NPC258592
0.8512 High Similarity NPC178548
0.8512 High Similarity NPC473203
0.8504 High Similarity NPC473805
0.8504 High Similarity NPC473519
0.8504 High Similarity NPC231240
0.85 High Similarity NPC470171
0.85 High Similarity NPC309433
0.8492 Intermediate Similarity NPC276838
0.8492 Intermediate Similarity NPC125077
0.8492 Intermediate Similarity NPC232785
0.8492 Intermediate Similarity NPC188234
0.8492 Intermediate Similarity NPC140092
0.8492 Intermediate Similarity NPC473593
0.8492 Intermediate Similarity NPC329986
0.8487 Intermediate Similarity NPC18547
0.8487 Intermediate Similarity NPC102088
0.8487 Intermediate Similarity NPC475633
0.8487 Intermediate Similarity NPC474906
0.848 Intermediate Similarity NPC470882
0.848 Intermediate Similarity NPC287423
0.848 Intermediate Similarity NPC298841
0.848 Intermediate Similarity NPC179412
0.848 Intermediate Similarity NPC473265
0.848 Intermediate Similarity NPC471356
0.8475 Intermediate Similarity NPC474265
0.8475 Intermediate Similarity NPC471967
0.8475 Intermediate Similarity NPC471245
0.8475 Intermediate Similarity NPC289312
0.8475 Intermediate Similarity NPC11252
0.8475 Intermediate Similarity NPC130427
0.8475 Intermediate Similarity NPC474927
0.8475 Intermediate Similarity NPC233003
0.8475 Intermediate Similarity NPC477253
0.8475 Intermediate Similarity NPC210420
0.8475 Intermediate Similarity NPC243572
0.8475 Intermediate Similarity NPC471244
0.8468 Intermediate Similarity NPC470477
0.8468 Intermediate Similarity NPC247315
0.8468 Intermediate Similarity NPC469841
0.8468 Intermediate Similarity NPC469842
0.8468 Intermediate Similarity NPC471963
0.8468 Intermediate Similarity NPC7850
0.8468 Intermediate Similarity NPC6615
0.8468 Intermediate Similarity NPC471962
0.8462 Intermediate Similarity NPC106760
0.8455 Intermediate Similarity NPC107966
0.8455 Intermediate Similarity NPC249848
0.8455 Intermediate Similarity NPC40775
0.8455 Intermediate Similarity NPC235438
0.8455 Intermediate Similarity NPC269642
0.845 Intermediate Similarity NPC194716
0.8448 Intermediate Similarity NPC258323
0.8448 Intermediate Similarity NPC195708
0.8443 Intermediate Similarity NPC470312
0.8438 Intermediate Similarity NPC88668
0.8438 Intermediate Similarity NPC298783
0.8438 Intermediate Similarity NPC157817
0.8438 Intermediate Similarity NPC104585

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC174367 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
0.8862 High Similarity NPD7736 Approved
0.878 High Similarity NPD8293 Discontinued
0.864 High Similarity NPD7319 Approved
0.8607 High Similarity NPD6370 Approved
0.8548 High Similarity NPD7507 Approved
0.8537 High Similarity NPD8328 Phase 3
0.8522 High Similarity NPD6412 Phase 2
0.8468 Intermediate Similarity NPD7492 Approved
0.8443 Intermediate Similarity NPD6054 Approved
0.8443 Intermediate Similarity NPD6059 Approved
0.84 Intermediate Similarity NPD6616 Approved
0.8333 Intermediate Similarity NPD7078 Approved
0.8226 Intermediate Similarity NPD6016 Approved
0.8226 Intermediate Similarity NPD6015 Approved
0.822 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.8197 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.816 Intermediate Similarity NPD5988 Approved
0.8145 Intermediate Similarity NPD6319 Approved
0.808 Intermediate Similarity NPD8033 Approved
0.8067 Intermediate Similarity NPD6373 Approved
0.8067 Intermediate Similarity NPD6372 Approved
0.8017 Intermediate Similarity NPD8297 Approved
0.8017 Intermediate Similarity NPD6882 Approved
0.8 Intermediate Similarity NPD8377 Approved
0.8 Intermediate Similarity NPD8294 Approved
0.7984 Intermediate Similarity NPD7327 Approved
0.7984 Intermediate Similarity NPD7328 Approved
0.7966 Intermediate Similarity NPD6008 Approved
0.7937 Intermediate Similarity NPD8378 Approved
0.7937 Intermediate Similarity NPD8335 Approved
0.7937 Intermediate Similarity NPD8380 Approved
0.7937 Intermediate Similarity NPD8379 Approved
0.7937 Intermediate Similarity NPD8296 Approved
0.7934 Intermediate Similarity NPD6649 Approved
0.7934 Intermediate Similarity NPD6650 Approved
0.792 Intermediate Similarity NPD7516 Approved
0.7903 Intermediate Similarity NPD6009 Approved
0.7846 Intermediate Similarity NPD6033 Approved
0.7833 Intermediate Similarity NPD7320 Approved
0.7815 Intermediate Similarity NPD6402 Approved
0.7815 Intermediate Similarity NPD7128 Approved
0.7815 Intermediate Similarity NPD5739 Approved
0.7815 Intermediate Similarity NPD6675 Approved
0.7805 Intermediate Similarity NPD4632 Approved
0.7731 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7686 Intermediate Similarity NPD6899 Approved
0.7686 Intermediate Similarity NPD6686 Approved
0.7686 Intermediate Similarity NPD6881 Approved
0.7674 Intermediate Similarity NPD6067 Discontinued
0.7661 Intermediate Similarity NPD8133 Approved
0.7656 Intermediate Similarity NPD8513 Phase 3
0.7656 Intermediate Similarity NPD8516 Approved
0.7656 Intermediate Similarity NPD8515 Approved
0.7656 Intermediate Similarity NPD7503 Approved
0.7656 Intermediate Similarity NPD8517 Approved
0.7642 Intermediate Similarity NPD8130 Phase 1
0.7619 Intermediate Similarity NPD7115 Discovery
0.7603 Intermediate Similarity NPD5697 Approved
0.7603 Intermediate Similarity NPD5701 Approved
0.7561 Intermediate Similarity NPD7102 Approved
0.7561 Intermediate Similarity NPD4634 Approved
0.7561 Intermediate Similarity NPD7290 Approved
0.7561 Intermediate Similarity NPD6883 Approved
0.75 Intermediate Similarity NPD6847 Approved
0.75 Intermediate Similarity NPD6869 Approved
0.75 Intermediate Similarity NPD6617 Approved
0.748 Intermediate Similarity NPD6013 Approved
0.748 Intermediate Similarity NPD6012 Approved
0.748 Intermediate Similarity NPD6014 Approved
0.7478 Intermediate Similarity NPD6399 Phase 3
0.7405 Intermediate Similarity NPD7604 Phase 2
0.7398 Intermediate Similarity NPD6011 Approved
0.7385 Intermediate Similarity NPD5983 Phase 2
0.7373 Intermediate Similarity NPD7902 Approved
0.7373 Intermediate Similarity NPD4755 Approved
0.736 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD6336 Discontinued
0.725 Intermediate Similarity NPD5286 Approved
0.725 Intermediate Similarity NPD4696 Approved
0.725 Intermediate Similarity NPD5285 Approved
0.725 Intermediate Similarity NPD4700 Approved
0.7227 Intermediate Similarity NPD6083 Phase 2
0.7227 Intermediate Similarity NPD6084 Phase 2
0.7217 Intermediate Similarity NPD5328 Approved
0.7203 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD7638 Approved
0.7143 Intermediate Similarity NPD4697 Phase 3
0.7132 Intermediate Similarity NPD6274 Approved
0.7131 Intermediate Similarity NPD5224 Approved
0.7131 Intermediate Similarity NPD5211 Phase 2
0.7131 Intermediate Similarity NPD5226 Approved
0.7131 Intermediate Similarity NPD5225 Approved
0.7131 Intermediate Similarity NPD4633 Approved
0.7121 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7748 Approved
0.7119 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7900 Approved
0.7107 Intermediate Similarity NPD7639 Approved
0.7107 Intermediate Similarity NPD7640 Approved
0.7099 Intermediate Similarity NPD7101 Approved
0.7099 Intermediate Similarity NPD7100 Approved
0.7097 Intermediate Similarity NPD4767 Approved
0.7097 Intermediate Similarity NPD4768 Approved
0.7094 Intermediate Similarity NPD6079 Approved
0.7094 Intermediate Similarity NPD8035 Phase 2
0.7094 Intermediate Similarity NPD8034 Phase 2
0.708 Intermediate Similarity NPD5956 Approved
0.7073 Intermediate Similarity NPD5174 Approved
0.7073 Intermediate Similarity NPD5175 Approved
0.7059 Intermediate Similarity NPD8337 Approved
0.7059 Intermediate Similarity NPD8336 Approved
0.7049 Intermediate Similarity NPD5223 Approved
0.7034 Intermediate Similarity NPD4202 Approved
0.7031 Intermediate Similarity NPD6053 Discontinued
0.7025 Intermediate Similarity NPD4225 Approved
0.7025 Intermediate Similarity NPD5696 Approved
0.7023 Intermediate Similarity NPD6335 Approved
0.7016 Intermediate Similarity NPD5141 Approved
0.6992 Remote Similarity NPD6908 Approved
0.6992 Remote Similarity NPD6909 Approved
0.6985 Remote Similarity NPD8074 Phase 3
0.6984 Remote Similarity NPD4730 Approved
0.6984 Remote Similarity NPD4729 Approved
0.6983 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6983 Remote Similarity NPD6903 Approved
0.6978 Remote Similarity NPD8338 Approved
0.6957 Remote Similarity NPD6409 Approved
0.6957 Remote Similarity NPD7146 Approved
0.6957 Remote Similarity NPD7521 Approved
0.6957 Remote Similarity NPD5330 Approved
0.6957 Remote Similarity NPD6684 Approved
0.6957 Remote Similarity NPD3618 Phase 1
0.6957 Remote Similarity NPD7334 Approved
0.6949 Remote Similarity NPD7515 Phase 2
0.6947 Remote Similarity NPD6317 Approved
0.6935 Remote Similarity NPD4754 Approved
0.6917 Remote Similarity NPD5695 Phase 3
0.6905 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6894 Remote Similarity NPD7799 Discontinued
0.6894 Remote Similarity NPD6314 Approved
0.6894 Remote Similarity NPD6313 Approved
0.6891 Remote Similarity NPD8171 Discontinued
0.6875 Remote Similarity NPD5250 Approved
0.6875 Remote Similarity NPD5249 Phase 3
0.6875 Remote Similarity NPD5248 Approved
0.6875 Remote Similarity NPD5247 Approved
0.6875 Remote Similarity NPD5251 Approved
0.6875 Remote Similarity NPD5955 Clinical (unspecified phase)
0.686 Remote Similarity NPD5220 Clinical (unspecified phase)
0.686 Remote Similarity NPD5222 Approved
0.686 Remote Similarity NPD5221 Approved
0.685 Remote Similarity NPD5128 Approved
0.6833 Remote Similarity NPD6001 Approved
0.6807 Remote Similarity NPD6411 Approved
0.6803 Remote Similarity NPD5173 Approved
0.6797 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6783 Remote Similarity NPD3666 Approved
0.6783 Remote Similarity NPD3133 Approved
0.6783 Remote Similarity NPD3665 Phase 1
0.6783 Remote Similarity NPD4786 Approved
0.678 Remote Similarity NPD4753 Phase 2
0.6744 Remote Similarity NPD6371 Approved
0.6742 Remote Similarity NPD6868 Approved
0.6738 Remote Similarity NPD8449 Approved
0.6736 Remote Similarity NPD6334 Approved
0.6736 Remote Similarity NPD6333 Approved
0.6695 Remote Similarity NPD5737 Approved
0.6695 Remote Similarity NPD6672 Approved
0.6692 Remote Similarity NPD5217 Approved
0.6692 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6692 Remote Similarity NPD5215 Approved
0.6692 Remote Similarity NPD5216 Approved
0.669 Remote Similarity NPD8450 Suspended
0.6667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5284 Approved
0.6667 Remote Similarity NPD5281 Approved
0.6641 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6639 Remote Similarity NPD6904 Approved
0.6639 Remote Similarity NPD4629 Approved
0.6639 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6639 Remote Similarity NPD6101 Approved
0.6639 Remote Similarity NPD5210 Approved
0.6639 Remote Similarity NPD6080 Approved
0.6639 Remote Similarity NPD6673 Approved
0.6618 Remote Similarity NPD6921 Approved
0.6615 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6615 Remote Similarity NPD5135 Approved
0.6615 Remote Similarity NPD5169 Approved
0.661 Remote Similarity NPD3573 Approved
0.6609 Remote Similarity NPD3667 Approved
0.6587 Remote Similarity NPD7632 Discontinued
0.6583 Remote Similarity NPD5207 Approved
0.6581 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6565 Remote Similarity NPD5127 Approved
0.6557 Remote Similarity NPD5282 Discontinued
0.6549 Remote Similarity NPD7260 Phase 2
0.6529 Remote Similarity NPD7983 Approved
0.6504 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6503 Remote Similarity NPD6845 Suspended

Structure

External Identifiers

PubChem CID   10818749
ChEMBL   CHEMBL506715
ZINC  

Physicochemical Properties

Molecular Weight:  734.35
ALogP:  -1.7232
MLogP:  4.1
XLogP:  0.709
# Rotatable Bonds:  22
Polar Surface Area:  226.58
# H-Bond Aceptor:  14
# H-Bond Donor:  6
# Rings:  6
# Heavy Atoms:  52

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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