Natural Product: NPC103627

Natural Product ID:  NPC103627
Common Name:   Charantoside Vi
IUPAC Name:  
Synonyms:   charantoside VI
Molecular Formula:   C37H60O8
Standard InCHIKey:  NMIXDARFKVGBJR-FSHMXENQSA-N
Standard InCHI:  InChI=1S/C37H60O8/c1-21(2)17-23(42-8)18-22(3)24-11-13-35(7)26-12-14-37-27(36(26,20-43-37)16-15-34(24,35)6)9-10-28(33(37,4)5)45-32-31(41)30(40)29(39)25(19-38)44-32/h12,14,17,22-32,38-41H,9-11,13,15-16,18-20H2,1-8H3/t22-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32+,34-,35+,36+,37-/m1/s1
Canonical SMILES:  CO[C@@H](C[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2C=C[C@]2([C@H]3CC[C@@H](C2(C)C)O[C@@H]2O[C@H](CO)[C@H]([C@H]([C@H]2O)O)O)OC1)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
NPO8182 Momordica charantia Species Cucurbitaceae Eukaryota PMID[17685651]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 12.7 % 12662097
NPT2 Others Unspecified Inhibition = 35.9 % DrugMatrix in vitro pharmacology data
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 20170122
NPT2 Others Unspecified Inhibition = 100 % 22850213
NPT2 Others Unspecified Inhibition = 82 % 17488128

  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 NPC103627 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 NPC170974
1.0 High Similarity NPC191439
0.9901 High Similarity NPC473328
0.9901 High Similarity NPC473318
0.9901 High Similarity NPC28844
0.9806 High Similarity NPC231797
0.9804 High Similarity NPC65155
0.9709 High Similarity NPC208189
0.9709 High Similarity NPC65034
0.9515 High Similarity NPC250089
0.9515 High Similarity NPC157530
0.9515 High Similarity NPC14630
0.951 High Similarity NPC33053
0.9429 High Similarity NPC473567
0.9429 High Similarity NPC216595
0.9406 High Similarity NPC471885
0.9406 High Similarity NPC471888
0.9406 High Similarity NPC471886
0.9406 High Similarity NPC471887
0.9314 High Similarity NPC93352
0.9307 High Similarity NPC37207
0.9216 High Similarity NPC213190
0.9208 High Similarity NPC285231
0.9208 High Similarity NPC21568
0.9151 High Similarity NPC13190
0.9143 High Similarity NPC472901
0.9135 High Similarity NPC226642
0.9126 High Similarity NPC75608
0.9118 High Similarity NPC300399
0.9118 High Similarity NPC471482
0.9065 High Similarity NPC475354
0.9065 High Similarity NPC112274
0.9048 High Similarity NPC80210
0.9048 High Similarity NPC38376
0.9048 High Similarity NPC235824
0.9038 High Similarity NPC26798
0.9038 High Similarity NPC472900
0.9038 High Similarity NPC472898
0.9038 High Similarity NPC472899
0.9029 High Similarity NPC471450
0.902 High Similarity NPC472023
0.902 High Similarity NPC4831
0.902 High Similarity NPC309425
0.902 High Similarity NPC160734
0.902 High Similarity NPC129372
0.902 High Similarity NPC88000
0.902 High Similarity NPC47566
0.901 High Similarity NPC216260
0.901 High Similarity NPC5358
0.8981 High Similarity NPC51154
0.8972 High Similarity NPC472987
0.8972 High Similarity NPC473021
0.8962 High Similarity NPC195116
0.8962 High Similarity NPC285253
0.8962 High Similarity NPC180459
0.8962 High Similarity NPC221110
0.8962 High Similarity NPC128133
0.8952 High Similarity NPC231340
0.8942 High Similarity NPC187400
0.8942 High Similarity NPC221562
0.8942 High Similarity NPC470885
0.8942 High Similarity NPC475365
0.8938 High Similarity NPC41129
0.8932 High Similarity NPC471889
0.8932 High Similarity NPC136816
0.8922 High Similarity NPC7341
0.8922 High Similarity NPC473200
0.8909 High Similarity NPC100048
0.8909 High Similarity NPC20979
0.8909 High Similarity NPC476690
0.8899 High Similarity NPC11548
0.8868 High Similarity NPC476538
0.8868 High Similarity NPC476540
0.8868 High Similarity NPC476539
0.8868 High Similarity NPC476541
0.8868 High Similarity NPC472896
0.8868 High Similarity NPC472897
0.8868 High Similarity NPC220427
0.8846 High Similarity NPC473123
0.8846 High Similarity NPC120123
0.8846 High Similarity NPC473020
0.8846 High Similarity NPC131479
0.8846 High Similarity NPC16520
0.8846 High Similarity NPC473124
0.8846 High Similarity NPC157659
0.8846 High Similarity NPC8039
0.8846 High Similarity NPC473198
0.8846 High Similarity NPC211879
0.8846 High Similarity NPC31907
0.8846 High Similarity NPC472252
0.8846 High Similarity NPC189852
0.8846 High Similarity NPC245280
0.8846 High Similarity NPC286969
0.8846 High Similarity NPC114874
0.8846 High Similarity NPC155010
0.8835 High Similarity NPC470434
0.8829 High Similarity NPC10366
0.8824 High Similarity NPC280825
0.8824 High Similarity NPC158088
0.8824 High Similarity NPC234287
0.8818 High Similarity NPC477030
0.8818 High Similarity NPC477029
0.8807 High Similarity NPC469348
0.8807 High Similarity NPC469347
0.8796 High Similarity NPC157474
0.8796 High Similarity NPC110494
0.8796 High Similarity NPC197231
0.8785 High Similarity NPC477027
0.8785 High Similarity NPC477026
0.8785 High Similarity NPC476835
0.8785 High Similarity NPC475670
0.8785 High Similarity NPC306131
0.8785 High Similarity NPC70204
0.8774 High Similarity NPC190395
0.8762 High Similarity NPC273879
0.8762 High Similarity NPC85593
0.8762 High Similarity NPC203354
0.8762 High Similarity NPC165033
0.8762 High Similarity NPC473127
0.8762 High Similarity NPC31430
0.8762 High Similarity NPC110656
0.875 High Similarity NPC477071
0.875 High Similarity NPC288694
0.875 High Similarity NPC272015
0.875 High Similarity NPC312553
0.875 High Similarity NPC159036
0.8739 High Similarity NPC34390
0.8739 High Similarity NPC196429
0.8739 High Similarity NPC77319
0.8739 High Similarity NPC158344
0.8739 High Similarity NPC471351
0.8739 High Similarity NPC471353
0.8739 High Similarity NPC87250
0.8739 High Similarity NPC309034
0.8739 High Similarity NPC471354
0.8739 High Similarity NPC244402
0.8739 High Similarity NPC471355
0.8739 High Similarity NPC93883
0.8739 High Similarity NPC157376
0.8739 High Similarity NPC84987
0.8739 High Similarity NPC99728
0.8739 High Similarity NPC50305
0.8739 High Similarity NPC474418
0.8739 High Similarity NPC473852
0.8739 High Similarity NPC243196
0.8739 High Similarity NPC203862
0.8739 High Similarity NPC27507
0.8739 High Similarity NPC142066
0.8738 High Similarity NPC324598
0.8738 High Similarity NPC469942
0.8725 High Similarity NPC243728
0.8725 High Similarity NPC473890
0.8725 High Similarity NPC240372
0.8716 High Similarity NPC476305
0.8716 High Similarity NPC42171
0.8716 High Similarity NPC19888
0.8716 High Similarity NPC473125
0.8716 High Similarity NPC477050
0.8704 High Similarity NPC141433
0.8704 High Similarity NPC472717
0.8679 High Similarity NPC69737
0.8679 High Similarity NPC473923
0.8679 High Similarity NPC473476
0.8679 High Similarity NPC269627
0.8679 High Similarity NPC181845
0.8679 High Similarity NPC473199
0.8679 High Similarity NPC242748
0.8679 High Similarity NPC160816
0.8679 High Similarity NPC152584
0.8679 High Similarity NPC208477
0.8679 High Similarity NPC127801
0.8679 High Similarity NPC474015
0.8679 High Similarity NPC208594
0.8679 High Similarity NPC194842
0.8679 High Similarity NPC309448
0.8673 High Similarity NPC475629
0.8673 High Similarity NPC475556
0.8667 High Similarity NPC16573
0.8667 High Similarity NPC475701
0.8661 High Similarity NPC83287
0.8661 High Similarity NPC45475
0.8661 High Similarity NPC475403
0.8661 High Similarity NPC160888
0.8654 High Similarity NPC267510
0.8654 High Similarity NPC176406
0.8649 High Similarity NPC199428
0.8649 High Similarity NPC99620
0.8649 High Similarity NPC148965
0.8649 High Similarity NPC193382
0.8649 High Similarity NPC207637
0.8649 High Similarity NPC5311
0.8649 High Similarity NPC310341
0.8636 High Similarity NPC44298
0.8636 High Similarity NPC40133
0.8636 High Similarity NPC290608
0.8636 High Similarity NPC473128
0.8636 High Similarity NPC476671
0.8636 High Similarity NPC49413
0.8627 High Similarity NPC98457
0.8627 High Similarity NPC227583

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC103627 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
0.8661 High Similarity NPD7328 Approved
0.8661 High Similarity NPD7327 Approved
0.8596 High Similarity NPD8380 Approved
0.8596 High Similarity NPD8378 Approved
0.8596 High Similarity NPD8379 Approved
0.8596 High Similarity NPD8335 Approved
0.8596 High Similarity NPD8296 Approved
0.8584 High Similarity NPD7516 Approved
0.8509 High Similarity NPD8294 Approved
0.8509 High Similarity NPD8377 Approved
0.8435 Intermediate Similarity NPD8033 Approved
0.8276 Intermediate Similarity NPD7503 Approved
0.8 Intermediate Similarity NPD7507 Approved
0.7951 Intermediate Similarity NPD7319 Approved
0.7672 Intermediate Similarity NPD8133 Approved
0.7611 Intermediate Similarity NPD6412 Phase 2
0.7544 Intermediate Similarity NPD6686 Approved
0.7477 Intermediate Similarity NPD8171 Discontinued
0.7459 Intermediate Similarity NPD6370 Approved
0.744 Intermediate Similarity NPD7736 Approved
0.7328 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD6054 Approved
0.7236 Intermediate Similarity NPD8515 Approved
0.7236 Intermediate Similarity NPD8513 Phase 3
0.7236 Intermediate Similarity NPD8517 Approved
0.7236 Intermediate Similarity NPD8516 Approved
0.7222 Intermediate Similarity NPD8293 Discontinued
0.717 Intermediate Similarity NPD7524 Approved
0.7157 Intermediate Similarity NPD7525 Registered
0.7154 Intermediate Similarity NPD6059 Approved
0.7143 Intermediate Similarity NPD7638 Approved
0.7097 Intermediate Similarity NPD6015 Approved
0.7097 Intermediate Similarity NPD6016 Approved
0.708 Intermediate Similarity NPD7639 Approved
0.708 Intermediate Similarity NPD7640 Approved
0.7077 Intermediate Similarity NPD8449 Approved
0.7063 Intermediate Similarity NPD7492 Approved
0.7049 Intermediate Similarity NPD7115 Discovery
0.7048 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD5988 Approved
0.7023 Intermediate Similarity NPD8450 Suspended
0.7008 Intermediate Similarity NPD6616 Approved
0.6984 Remote Similarity NPD8328 Phase 3
0.6953 Remote Similarity NPD7078 Approved
0.6952 Remote Similarity NPD6695 Phase 3
0.6911 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6891 Remote Similarity NPD4061 Clinical (unspecified phase)
0.686 Remote Similarity NPD8297 Approved
0.686 Remote Similarity NPD6882 Approved
0.6852 Remote Similarity NPD7750 Discontinued
0.685 Remote Similarity NPD6067 Discontinued
0.6838 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6827 Remote Similarity NPD6928 Phase 2
0.6786 Remote Similarity NPD7625 Phase 1
0.6777 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6009 Approved
0.6746 Remote Similarity NPD6319 Approved
0.6731 Remote Similarity NPD7645 Phase 2
0.6724 Remote Similarity NPD4159 Approved
0.6724 Remote Similarity NPD5344 Discontinued
0.6697 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6696 Remote Similarity NPD4225 Approved
0.6694 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6931 Approved
0.6667 Remote Similarity NPD7514 Phase 3
0.6667 Remote Similarity NPD6930 Phase 2
0.6667 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD6942 Approved
0.6667 Remote Similarity NPD7339 Approved
0.6641 Remote Similarity NPD6033 Approved
0.6577 Remote Similarity NPD6051 Approved
0.6571 Remote Similarity NPD6929 Approved
0.6565 Remote Similarity NPD8074 Phase 3
0.6538 Remote Similarity NPD6932 Approved
0.6529 Remote Similarity NPD6899 Approved
0.6529 Remote Similarity NPD7320 Approved
0.6529 Remote Similarity NPD6881 Approved
0.6525 Remote Similarity NPD7632 Discontinued
0.6509 Remote Similarity NPD7332 Phase 2
0.6504 Remote Similarity NPD6649 Approved
0.6504 Remote Similarity NPD6650 Approved
0.6504 Remote Similarity NPD8130 Phase 1
0.65 Remote Similarity NPD6675 Approved
0.65 Remote Similarity NPD5739 Approved
0.65 Remote Similarity NPD6402 Approved
0.65 Remote Similarity NPD7128 Approved
0.6476 Remote Similarity NPD7145 Approved
0.6475 Remote Similarity NPD6372 Approved
0.6475 Remote Similarity NPD6373 Approved
0.646 Remote Similarity NPD7637 Suspended
0.646 Remote Similarity NPD7087 Discontinued
0.6449 Remote Similarity NPD6902 Approved
0.6446 Remote Similarity NPD5697 Approved
0.6446 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6933 Approved
0.6442 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6423 Remote Similarity NPD4634 Approved
0.6423 Remote Similarity NPD6883 Approved
0.6423 Remote Similarity NPD7290 Approved
0.6423 Remote Similarity NPD7102 Approved
0.641 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6404 Remote Similarity NPD6399 Phase 3
0.6387 Remote Similarity NPD5211 Phase 2
0.6381 Remote Similarity NPD5776 Phase 2
0.6381 Remote Similarity NPD6925 Approved
0.6371 Remote Similarity NPD6869 Approved
0.6371 Remote Similarity NPD6847 Approved
0.6371 Remote Similarity NPD6617 Approved
0.6364 Remote Similarity NPD6893 Approved
0.6364 Remote Similarity NPD6008 Approved
0.6356 Remote Similarity NPD5286 Approved
0.6356 Remote Similarity NPD6648 Approved
0.6356 Remote Similarity NPD5285 Approved
0.6356 Remote Similarity NPD4696 Approved
0.6341 Remote Similarity NPD6014 Approved
0.6341 Remote Similarity NPD6013 Approved
0.6341 Remote Similarity NPD6012 Approved
0.6336 Remote Similarity NPD7604 Phase 2
0.6325 Remote Similarity NPD4755 Approved
0.632 Remote Similarity NPD6053 Discontinued
0.6316 Remote Similarity NPD8034 Phase 2
0.6316 Remote Similarity NPD6079 Approved
0.6316 Remote Similarity NPD8035 Phase 2
0.6311 Remote Similarity NPD5701 Approved
0.6308 Remote Similarity NPD5983 Phase 2
0.6296 Remote Similarity NPD5956 Approved
0.6283 Remote Similarity NPD5328 Approved
0.6281 Remote Similarity NPD5141 Approved
0.6273 Remote Similarity NPD4786 Approved
0.6262 Remote Similarity NPD6683 Phase 2
0.6261 Remote Similarity NPD4202 Approved
0.626 Remote Similarity NPD6011 Approved
0.626 Remote Similarity NPD5126 Approved
0.626 Remote Similarity NPD5125 Phase 3
0.625 Remote Similarity NPD5225 Approved
0.625 Remote Similarity NPD4785 Approved
0.625 Remote Similarity NPD5224 Approved
0.625 Remote Similarity NPD4784 Approved
0.625 Remote Similarity NPD4633 Approved
0.625 Remote Similarity NPD6924 Approved
0.625 Remote Similarity NPD5226 Approved
0.625 Remote Similarity NPD6926 Approved
0.6241 Remote Similarity NPD6336 Discontinued
0.6231 Remote Similarity NPD7741 Discontinued
0.623 Remote Similarity NPD6640 Phase 3
0.6228 Remote Similarity NPD3168 Discontinued
0.6228 Remote Similarity NPD7838 Discovery
0.6218 Remote Similarity NPD4700 Approved
0.6214 Remote Similarity NPD4243 Approved
0.6207 Remote Similarity NPD7748 Approved
0.6198 Remote Similarity NPD5174 Approved
0.6198 Remote Similarity NPD5175 Approved
0.6186 Remote Similarity NPD6083 Phase 2
0.6186 Remote Similarity NPD6084 Phase 2
0.6186 Remote Similarity NPD7902 Approved
0.6183 Remote Similarity NPD6921 Approved
0.6176 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6167 Remote Similarity NPD5223 Approved
0.6161 Remote Similarity NPD3618 Phase 1
0.6154 Remote Similarity NPD7991 Discontinued
0.6147 Remote Similarity NPD6898 Phase 1
0.6129 Remote Similarity NPD4729 Approved
0.6129 Remote Similarity NPD4730 Approved
0.6126 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6125 Remote Similarity NPD7799 Discontinued
0.6111 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6102 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6102 Remote Similarity NPD5222 Approved
0.6102 Remote Similarity NPD5221 Approved
0.6098 Remote Similarity NPD4767 Approved
0.6098 Remote Similarity NPD4768 Approved
0.6095 Remote Similarity NPD1811 Approved
0.6095 Remote Similarity NPD1810 Approved
0.6091 Remote Similarity NPD3667 Approved
0.6087 Remote Similarity NPD46 Approved
0.6087 Remote Similarity NPD6698 Approved
0.6071 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6058 Remote Similarity NPD7151 Approved
0.6058 Remote Similarity NPD7152 Approved
0.6058 Remote Similarity NPD7150 Approved
0.6055 Remote Similarity NPD7509 Discontinued
0.6055 Remote Similarity NPD4748 Discontinued
0.605 Remote Similarity NPD5173 Approved
0.6048 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6038 Remote Similarity NPD8264 Approved
0.6034 Remote Similarity NPD7515 Phase 2
0.6032 Remote Similarity NPD5247 Approved
0.6032 Remote Similarity NPD5251 Approved
0.6032 Remote Similarity NPD5248 Approved
0.6032 Remote Similarity NPD5250 Approved
0.6032 Remote Similarity NPD5249 Phase 3
0.6031 Remote Similarity NPD7100 Approved
0.6031 Remote Similarity NPD7101 Approved
0.6019 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6017 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6 Remote Similarity NPD4753 Phase 2
0.5971 Remote Similarity NPD8338 Approved
0.5966 Remote Similarity NPD4697 Phase 3
0.5963 Remote Similarity NPD4195 Approved

Structure

External Identifiers

PubChem CID   23626323
ChEMBL   CHEMBL400981
ZINC  

Physicochemical Properties

Molecular Weight:  632.43
ALogP:  1.0549
MLogP:  4.65
XLogP:  6.754
# Rotatable Bonds:  20
Polar Surface Area:  117.84
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  6
# Heavy Atoms:  45

Download Data

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