Natural Product: NPC472715

Natural Product ID:  NPC472715
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C48H82O21
Standard InCHIKey:  JWUIALRFPUOOAH-SIDAWKLTSA-N
Standard InCHI:  InChI=1S/C48H82O21/c1-43(2,69-62)12-9-13-48(8,68-41-37(61)34(58)31(55)25(19-50)64-41)21-10-14-47(7)29(21)22(52)16-28-45(5)17-23(53)39(44(3,4)27(45)11-15-46(28,47)6)67-42-38(35(59)32(56)26(20-51)65-42)66-40-36(60)33(57)30(54)24(18-49)63-40/h9,12,21-42,49-62H,10-11,13-20H2,1-8H3/b12-9+/t21-,22+,23+,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,45-,46+,47+,48-/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(C/C=C/C(OO)(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[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
NPO12934 Gynostemma pentaphyllum Species Cucurbitaceae Eukaryota Aerial parts PMID[25895106]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT38 Individual Protein Signal transducer and activator of transcription 3 Homo sapiens IC50 > 30000 nM PubChem BioAssay data set

  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 NPC472715 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
0.9903 High Similarity NPC472716
0.9902 High Similarity NPC472717
0.9515 High Similarity NPC472896
0.9515 High Similarity NPC472897
0.9417 High Similarity NPC181467
0.9327 High Similarity NPC180183
0.9327 High Similarity NPC246124
0.9327 High Similarity NPC235824
0.932 High Similarity NPC208594
0.932 High Similarity NPC269627
0.932 High Similarity NPC152584
0.932 High Similarity NPC69737
0.932 High Similarity NPC194842
0.932 High Similarity NPC208477
0.932 High Similarity NPC127801
0.932 High Similarity NPC160816
0.9231 High Similarity NPC190395
0.9231 High Similarity NPC63368
0.9231 High Similarity NPC231340
0.9231 High Similarity NPC14946
0.9231 High Similarity NPC208650
0.9223 High Similarity NPC165033
0.9223 High Similarity NPC273879
0.9143 High Similarity NPC159005
0.9143 High Similarity NPC220427
0.9143 High Similarity NPC6931
0.9135 High Similarity NPC472899
0.9135 High Similarity NPC472898
0.9135 High Similarity NPC309448
0.9135 High Similarity NPC472900
0.9126 High Similarity NPC189852
0.9126 High Similarity NPC286969
0.9126 High Similarity NPC8039
0.9126 High Similarity NPC211879
0.9126 High Similarity NPC114874
0.9126 High Similarity NPC155010
0.9126 High Similarity NPC245280
0.9126 High Similarity NPC131479
0.9126 High Similarity NPC473020
0.9126 High Similarity NPC31907
0.9126 High Similarity NPC16520
0.9126 High Similarity NPC16573
0.9126 High Similarity NPC120123
0.9126 High Similarity NPC472252
0.9126 High Similarity NPC157659
0.9074 High Similarity NPC307642
0.9065 High Similarity NPC472987
0.9065 High Similarity NPC473021
0.9065 High Similarity NPC65167
0.9057 High Similarity NPC302057
0.9038 High Similarity NPC470885
0.9038 High Similarity NPC187400
0.9038 High Similarity NPC476361
0.9038 High Similarity NPC221562
0.9038 High Similarity NPC476360
0.9029 High Similarity NPC159036
0.9029 High Similarity NPC312553
0.9029 High Similarity NPC288694
0.9029 High Similarity NPC136816
0.8981 High Similarity NPC475312
0.8942 High Similarity NPC473198
0.8932 High Similarity NPC88000
0.8932 High Similarity NPC472023
0.8932 High Similarity NPC160734
0.8932 High Similarity NPC47566
0.8932 High Similarity NPC309425
0.8932 High Similarity NPC4831
0.8932 High Similarity NPC129372
0.8909 High Similarity NPC146652
0.8899 High Similarity NPC476693
0.8889 High Similarity NPC110494
0.8889 High Similarity NPC157474
0.8879 High Similarity NPC296761
0.8879 High Similarity NPC51925
0.8879 High Similarity NPC154085
0.8879 High Similarity NPC43976
0.8879 High Similarity NPC472901
0.8879 High Similarity NPC125361
0.8868 High Similarity NPC33053
0.8868 High Similarity NPC473469
0.8857 High Similarity NPC75608
0.8857 High Similarity NPC312774
0.8846 High Similarity NPC272015
0.8835 High Similarity NPC7341
0.8835 High Similarity NPC473200
0.8829 High Similarity NPC476690
0.8829 High Similarity NPC100048
0.8829 High Similarity NPC20979
0.8807 High Similarity NPC476305
0.8785 High Similarity NPC472988
0.8785 High Similarity NPC7213
0.8785 High Similarity NPC38217
0.8774 High Similarity NPC242748
0.8762 High Similarity NPC213190
0.8761 High Similarity NPC135369
0.875 High Similarity NPC10366
0.8738 High Similarity NPC280825
0.8738 High Similarity NPC234287
0.8716 High Similarity NPC197231
0.8716 High Similarity NPC476547
0.8704 High Similarity NPC250089
0.8704 High Similarity NPC14630
0.8704 High Similarity NPC28844
0.8704 High Similarity NPC195116
0.8704 High Similarity NPC285253
0.8704 High Similarity NPC157530
0.8704 High Similarity NPC221110
0.8704 High Similarity NPC180459
0.8704 High Similarity NPC473318
0.8704 High Similarity NPC473328
0.8692 High Similarity NPC281939
0.8692 High Similarity NPC94272
0.8692 High Similarity NPC234160
0.8692 High Similarity NPC257964
0.8679 High Similarity NPC93352
0.8679 High Similarity NPC148603
0.8679 High Similarity NPC475365
0.8679 High Similarity NPC475521
0.8667 High Similarity NPC256133
0.8667 High Similarity NPC76497
0.8667 High Similarity NPC213674
0.8667 High Similarity NPC30289
0.8654 High Similarity NPC282669
0.8649 High Similarity NPC32707
0.8649 High Similarity NPC477810
0.8649 High Similarity NPC167183
0.8636 High Similarity NPC475354
0.8636 High Similarity NPC263359
0.8636 High Similarity NPC19888
0.8636 High Similarity NPC244431
0.8636 High Similarity NPC32361
0.8636 High Similarity NPC31896
0.8636 High Similarity NPC210569
0.8624 High Similarity NPC191439
0.8624 High Similarity NPC103627
0.8624 High Similarity NPC141433
0.8624 High Similarity NPC170974
0.8624 High Similarity NPC65155
0.8611 High Similarity NPC38376
0.8611 High Similarity NPC126147
0.8611 High Similarity NPC80210
0.8611 High Similarity NPC98696
0.8598 High Similarity NPC473923
0.8598 High Similarity NPC470512
0.8598 High Similarity NPC173859
0.8598 High Similarity NPC473199
0.8598 High Similarity NPC474569
0.8598 High Similarity NPC473476
0.8585 High Similarity NPC162354
0.8585 High Similarity NPC123796
0.8584 High Similarity NPC476692
0.8584 High Similarity NPC476691
0.8571 High Similarity NPC117714
0.8571 High Similarity NPC470434
0.8571 High Similarity NPC263756
0.8559 High Similarity NPC476546
0.8559 High Similarity NPC79900
0.8559 High Similarity NPC476671
0.8558 High Similarity NPC158088
0.8558 High Similarity NPC476895
0.8545 High Similarity NPC475247
0.8545 High Similarity NPC477028
0.8545 High Similarity NPC294129
0.8545 High Similarity NPC124677
0.8545 High Similarity NPC114188
0.8545 High Similarity NPC477032
0.8544 High Similarity NPC472989
0.8532 High Similarity NPC40440
0.8532 High Similarity NPC309278
0.8532 High Similarity NPC477027
0.8532 High Similarity NPC171073
0.8532 High Similarity NPC194207
0.8532 High Similarity NPC218571
0.8532 High Similarity NPC300557
0.8532 High Similarity NPC22779
0.8532 High Similarity NPC208383
0.8532 High Similarity NPC84956
0.8532 High Similarity NPC475333
0.8532 High Similarity NPC102016
0.8532 High Similarity NPC150372
0.8532 High Similarity NPC73243
0.8532 High Similarity NPC474573
0.8532 High Similarity NPC244086
0.8532 High Similarity NPC248746
0.8532 High Similarity NPC475670
0.8532 High Similarity NPC70204
0.8532 High Similarity NPC249265
0.8532 High Similarity NPC95051
0.8532 High Similarity NPC477809
0.8532 High Similarity NPC470433
0.8532 High Similarity NPC475550
0.8532 High Similarity NPC46190
0.8532 High Similarity NPC232054
0.8532 High Similarity NPC306131
0.8532 High Similarity NPC6806
0.8532 High Similarity NPC42482
0.8532 High Similarity NPC477026
0.8532 High Similarity NPC224098
0.8522 High Similarity NPC475419
0.8522 High Similarity NPC120390

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472715 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
0.8435 Intermediate Similarity NPD8294 Approved
0.8435 Intermediate Similarity NPD8377 Approved
0.8362 Intermediate Similarity NPD8296 Approved
0.8362 Intermediate Similarity NPD8335 Approved
0.8362 Intermediate Similarity NPD8033 Approved
0.8362 Intermediate Similarity NPD8380 Approved
0.8362 Intermediate Similarity NPD8379 Approved
0.8362 Intermediate Similarity NPD8378 Approved
0.8034 Intermediate Similarity NPD7516 Approved
0.7949 Intermediate Similarity NPD7327 Approved
0.7949 Intermediate Similarity NPD7328 Approved
0.7913 Intermediate Similarity NPD8133 Approved
0.775 Intermediate Similarity NPD7503 Approved
0.7736 Intermediate Similarity NPD8171 Discontinued
0.75 Intermediate Similarity NPD7507 Approved
0.7323 Intermediate Similarity NPD7319 Approved
0.7265 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6412 Phase 2
0.72 Intermediate Similarity NPD8328 Phase 3
0.7131 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD7524 Approved
0.7099 Intermediate Similarity NPD8450 Suspended
0.7087 Intermediate Similarity NPD7525 Registered
0.7069 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD8515 Approved
0.704 Intermediate Similarity NPD8517 Approved
0.704 Intermediate Similarity NPD8516 Approved
0.704 Intermediate Similarity NPD8513 Phase 3
0.7034 Intermediate Similarity NPD6686 Approved
0.7023 Intermediate Similarity NPD8449 Approved
0.6977 Remote Similarity NPD7736 Approved
0.685 Remote Similarity NPD6370 Approved
0.6822 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6783 Remote Similarity NPD7638 Approved
0.6738 Remote Similarity NPD7625 Phase 1
0.6729 Remote Similarity NPD6695 Phase 3
0.6724 Remote Similarity NPD7640 Approved
0.6724 Remote Similarity NPD7639 Approved
0.6721 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6693 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD7645 Phase 2
0.6641 Remote Similarity NPD8293 Discontinued
0.6636 Remote Similarity NPD7750 Discontinued
0.6604 Remote Similarity NPD6928 Phase 2
0.6587 Remote Similarity NPD7115 Discovery
0.6562 Remote Similarity NPD6059 Approved
0.6532 Remote Similarity NPD8297 Approved
0.6532 Remote Similarity NPD6882 Approved
0.6512 Remote Similarity NPD6016 Approved
0.6512 Remote Similarity NPD6015 Approved
0.6489 Remote Similarity NPD7492 Approved
0.6486 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6462 Remote Similarity NPD5988 Approved
0.6457 Remote Similarity NPD6009 Approved
0.6449 Remote Similarity NPD7514 Phase 3
0.6449 Remote Similarity NPD6931 Approved
0.6449 Remote Similarity NPD6930 Phase 2
0.6442 Remote Similarity NPD7339 Approved
0.6442 Remote Similarity NPD6942 Approved
0.6439 Remote Similarity NPD6616 Approved
0.6434 Remote Similarity NPD6319 Approved
0.6391 Remote Similarity NPD7078 Approved
0.6387 Remote Similarity NPD5344 Discontinued
0.6381 Remote Similarity NPD6933 Approved
0.6355 Remote Similarity NPD6929 Approved
0.6349 Remote Similarity NPD4632 Approved
0.6346 Remote Similarity NPD1811 Approved
0.6346 Remote Similarity NPD1810 Approved
0.6341 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6321 Remote Similarity NPD6932 Approved
0.6296 Remote Similarity NPD7332 Phase 2
0.629 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6288 Remote Similarity NPD6067 Discontinued
0.6275 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6262 Remote Similarity NPD7145 Approved
0.6261 Remote Similarity NPD8035 Phase 2
0.6261 Remote Similarity NPD7087 Discontinued
0.6261 Remote Similarity NPD8034 Phase 2
0.6261 Remote Similarity NPD7637 Suspended
0.625 Remote Similarity NPD4159 Approved
0.6239 Remote Similarity NPD6902 Approved
0.6226 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6218 Remote Similarity NPD4225 Approved
0.6218 Remote Similarity NPD8029 Clinical (unspecified phase)
0.621 Remote Similarity NPD6899 Approved
0.621 Remote Similarity NPD6881 Approved
0.6207 Remote Similarity NPD6399 Phase 3
0.6198 Remote Similarity NPD7632 Discontinued
0.619 Remote Similarity NPD6650 Approved
0.619 Remote Similarity NPD6926 Approved
0.619 Remote Similarity NPD8130 Phase 1
0.619 Remote Similarity NPD6924 Approved
0.619 Remote Similarity NPD6649 Approved
0.6179 Remote Similarity NPD5739 Approved
0.6179 Remote Similarity NPD7128 Approved
0.6179 Remote Similarity NPD6402 Approved
0.6179 Remote Similarity NPD6675 Approved
0.6174 Remote Similarity NPD3168 Discontinued
0.6168 Remote Similarity NPD5776 Phase 2
0.6168 Remote Similarity NPD6925 Approved
0.6161 Remote Similarity NPD6893 Approved
0.616 Remote Similarity NPD6372 Approved
0.616 Remote Similarity NPD6373 Approved
0.6154 Remote Similarity NPD7748 Approved
0.6148 Remote Similarity NPD8074 Phase 3
0.6134 Remote Similarity NPD7902 Approved
0.6129 Remote Similarity NPD5697 Approved
0.6111 Remote Similarity NPD7290 Approved
0.6111 Remote Similarity NPD4634 Approved
0.6111 Remote Similarity NPD6883 Approved
0.6111 Remote Similarity NPD7102 Approved
0.6111 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6103 Remote Similarity NPD6033 Approved
0.608 Remote Similarity NPD7320 Approved
0.6071 Remote Similarity NPD4786 Approved
0.6066 Remote Similarity NPD5211 Phase 2
0.6063 Remote Similarity NPD6869 Approved
0.6063 Remote Similarity NPD6847 Approved
0.6063 Remote Similarity NPD6617 Approved
0.6058 Remote Similarity NPD2687 Approved
0.6058 Remote Similarity NPD2686 Approved
0.6058 Remote Similarity NPD2254 Approved
0.6055 Remote Similarity NPD6683 Phase 2
0.6045 Remote Similarity NPD7604 Phase 2
0.6038 Remote Similarity NPD4784 Approved
0.6038 Remote Similarity NPD4785 Approved
0.6033 Remote Similarity NPD5285 Approved
0.6033 Remote Similarity NPD4696 Approved
0.6033 Remote Similarity NPD6648 Approved
0.6033 Remote Similarity NPD5286 Approved
0.6032 Remote Similarity NPD6014 Approved
0.6032 Remote Similarity NPD6012 Approved
0.6032 Remote Similarity NPD6013 Approved
0.6018 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6015 Remote Similarity NPD5983 Phase 2
0.6 Remote Similarity NPD7150 Approved
0.6 Remote Similarity NPD7152 Approved
0.6 Remote Similarity NPD7151 Approved
0.6 Remote Similarity NPD7509 Discontinued
0.6 Remote Similarity NPD4755 Approved
0.6 Remote Similarity NPD5701 Approved
0.5983 Remote Similarity NPD6079 Approved
0.5983 Remote Similarity NPD7515 Phase 2
0.5982 Remote Similarity NPD3669 Approved
0.5982 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5968 Remote Similarity NPD5141 Approved
0.5966 Remote Similarity NPD7991 Discontinued
0.5963 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5956 Remote Similarity NPD6336 Discontinued
0.5952 Remote Similarity NPD6011 Approved
0.5948 Remote Similarity NPD5328 Approved
0.5948 Remote Similarity NPD6051 Approved
0.5946 Remote Similarity NPD6898 Phase 1
0.594 Remote Similarity NPD7741 Discontinued
0.5935 Remote Similarity NPD5226 Approved
0.5935 Remote Similarity NPD5224 Approved
0.5935 Remote Similarity NPD5225 Approved
0.5935 Remote Similarity NPD4633 Approved
0.5932 Remote Similarity NPD4202 Approved
0.592 Remote Similarity NPD6008 Approved
0.5905 Remote Similarity NPD7144 Approved
0.5905 Remote Similarity NPD7143 Approved
0.5902 Remote Similarity NPD4700 Approved
0.5897 Remote Similarity NPD7838 Discovery
0.5896 Remote Similarity NPD6921 Approved
0.5893 Remote Similarity NPD3667 Approved
0.5891 Remote Similarity NPD6429 Approved
0.5891 Remote Similarity NPD6430 Approved
0.5887 Remote Similarity NPD5175 Approved
0.5887 Remote Similarity NPD5174 Approved
0.5882 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7900 Approved
0.5878 Remote Similarity NPD6940 Discontinued
0.5873 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5868 Remote Similarity NPD6084 Phase 2
0.5868 Remote Similarity NPD6083 Phase 2
0.5856 Remote Similarity NPD4748 Discontinued
0.5854 Remote Similarity NPD5223 Approved
0.5852 Remote Similarity NPD5126 Approved
0.5852 Remote Similarity NPD5125 Phase 3
0.5849 Remote Similarity NPD4243 Approved
0.5833 Remote Similarity NPD8264 Approved
0.5827 Remote Similarity NPD8174 Phase 2
0.5827 Remote Similarity NPD4730 Approved
0.5827 Remote Similarity NPD4729 Approved
0.5826 Remote Similarity NPD3618 Phase 1
0.5814 Remote Similarity NPD6401 Clinical (unspecified phase)
0.581 Remote Similarity NPD6922 Approved
0.581 Remote Similarity NPD6923 Approved
0.5797 Remote Similarity NPD8448 Approved
0.5794 Remote Similarity NPD5357 Phase 1
0.5794 Remote Similarity NPD4768 Approved
0.5794 Remote Similarity NPD6640 Phase 3
0.5794 Remote Similarity NPD4767 Approved
0.5786 Remote Similarity NPD5956 Approved
0.5786 Remote Similarity NPD8390 Approved
0.5786 Remote Similarity NPD8391 Approved
0.5786 Remote Similarity NPD8392 Approved
0.5785 Remote Similarity NPD5222 Approved
0.5785 Remote Similarity NPD5220 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3581706
ZINC  

Physicochemical Properties

Molecular Weight:  994.53
ALogP:  -3.9154
MLogP:  4.43
XLogP:  1.565
# Rotatable Bonds:  36
Polar Surface Area:  347.83
# H-Bond Aceptor:  21
# H-Bond Donor:  14
# Rings:  7
# Heavy Atoms:  69

Download Data

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