Natural Product: NPC302057

Natural Product ID:  NPC302057
Common Name:   7-Oxomogroside V
IUPAC Name:   (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:   7-oxomogroside V
Molecular Formula:   C60H102O29
Standard InCHIKey:  GRWRKEKBKNZMOA-SJJZSDDKSA-N
Standard InCHI:  InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(45(74)38(67)29(20-63)84-55)89-54-49(78)44(73)40(69)31(86-54)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)43(72)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,27-,28+,29-,30-,31-,32+,33-,34+,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,45+,46-,47+,48-,49-,50-,51-,52+,53+,54+,55+,58+,59-,60+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H](C(O)(C)C)CC[C@H]([C@H]2CC[C@@]3([C@]2(C)C[C@@H](O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)[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
NPO32612 siraitia gros venorii Species Cucurbitaceae Eukaryota fruits PMID[17477572]
NPO7727 Momordicae fructus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Activity = 13.7 % 17477572
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Activity = 31 % 17477572
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Activity = 84.7 % 17477572
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Activity = 100 % 17477572
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 17477572
NPT2 Others Unspecified Ratio = 1.4 17477572

  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 NPC302057 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
0.98 High Similarity NPC190395
0.9703 High Similarity NPC159005
0.9703 High Similarity NPC6931
0.97 High Similarity NPC309448
0.9604 High Similarity NPC14946
0.9604 High Similarity NPC63368
0.9604 High Similarity NPC208650
0.96 High Similarity NPC221562
0.96 High Similarity NPC470885
0.96 High Similarity NPC187400
0.9524 High Similarity NPC477810
0.951 High Similarity NPC246124
0.951 High Similarity NPC180183
0.9505 High Similarity NPC269627
0.9505 High Similarity NPC152584
0.9505 High Similarity NPC160816
0.9505 High Similarity NPC208477
0.9505 High Similarity NPC194842
0.9505 High Similarity NPC127801
0.9505 High Similarity NPC69737
0.9505 High Similarity NPC208594
0.9429 High Similarity NPC476671
0.9412 High Similarity NPC94272
0.9412 High Similarity NPC181467
0.934 High Similarity NPC167183
0.934 High Similarity NPC32707
0.9333 High Similarity NPC31896
0.9333 High Similarity NPC263359
0.9333 High Similarity NPC32361
0.9333 High Similarity NPC210569
0.9333 High Similarity NPC244431
0.9327 High Similarity NPC222202
0.9327 High Similarity NPC269297
0.9327 High Similarity NPC23808
0.9327 High Similarity NPC477811
0.9327 High Similarity NPC224314
0.9327 High Similarity NPC87998
0.932 High Similarity NPC220427
0.9314 High Similarity NPC242748
0.9307 High Similarity NPC31907
0.9307 High Similarity NPC472252
0.9307 High Similarity NPC16520
0.9307 High Similarity NPC155010
0.9307 High Similarity NPC157659
0.9307 High Similarity NPC189852
0.9307 High Similarity NPC473020
0.9307 High Similarity NPC131479
0.9307 High Similarity NPC8039
0.9307 High Similarity NPC245280
0.9307 High Similarity NPC211879
0.9307 High Similarity NPC114874
0.9307 High Similarity NPC120123
0.9307 High Similarity NPC286969
0.9252 High Similarity NPC146652
0.9245 High Similarity NPC79900
0.9238 High Similarity NPC477028
0.9238 High Similarity NPC124677
0.9238 High Similarity NPC13193
0.9238 High Similarity NPC475247
0.9238 High Similarity NPC294129
0.9238 High Similarity NPC197231
0.9238 High Similarity NPC477032
0.9238 High Similarity NPC476547
0.9231 High Similarity NPC475550
0.9231 High Similarity NPC224098
0.9231 High Similarity NPC84956
0.9231 High Similarity NPC244086
0.9231 High Similarity NPC194207
0.9231 High Similarity NPC477809
0.9231 High Similarity NPC73243
0.9231 High Similarity NPC475333
0.9231 High Similarity NPC102016
0.9231 High Similarity NPC46190
0.9231 High Similarity NPC232054
0.9231 High Similarity NPC6806
0.9231 High Similarity NPC150372
0.9231 High Similarity NPC171073
0.9231 High Similarity NPC95051
0.9231 High Similarity NPC470433
0.9231 High Similarity NPC309278
0.9231 High Similarity NPC218571
0.9231 High Similarity NPC249265
0.9231 High Similarity NPC248746
0.9231 High Similarity NPC208383
0.9231 High Similarity NPC22779
0.9231 High Similarity NPC300557
0.9216 High Similarity NPC165033
0.9216 High Similarity NPC273879
0.9208 High Similarity NPC272015
0.9208 High Similarity NPC136816
0.9208 High Similarity NPC312553
0.9208 High Similarity NPC159036
0.9208 High Similarity NPC288694
0.9159 High Similarity NPC208832
0.9151 High Similarity NPC308140
0.9151 High Similarity NPC472716
0.9151 High Similarity NPC19888
0.9135 High Similarity NPC98696
0.9126 High Similarity NPC470512
0.9126 High Similarity NPC474569
0.9126 High Similarity NPC473923
0.9126 High Similarity NPC473476
0.9126 High Similarity NPC173859
0.9118 High Similarity NPC16573
0.9118 High Similarity NPC123796
0.9109 High Similarity NPC309425
0.9109 High Similarity NPC160734
0.9109 High Similarity NPC88000
0.9109 High Similarity NPC129372
0.9109 High Similarity NPC472023
0.9109 High Similarity NPC4831
0.9109 High Similarity NPC47566
0.9091 High Similarity NPC475358
0.9091 High Similarity NPC473566
0.9074 High Similarity NPC279638
0.9074 High Similarity NPC477030
0.9074 High Similarity NPC477029
0.9065 High Similarity NPC476546
0.9065 High Similarity NPC476693
0.9065 High Similarity NPC307642
0.9057 High Similarity NPC472715
0.9057 High Similarity NPC65167
0.9048 High Similarity NPC475670
0.9048 High Similarity NPC42482
0.9048 High Similarity NPC477026
0.9048 High Similarity NPC40440
0.9048 High Similarity NPC306131
0.9048 High Similarity NPC477027
0.9048 High Similarity NPC70204
0.9038 High Similarity NPC14704
0.9038 High Similarity NPC230507
0.9038 High Similarity NPC283829
0.9038 High Similarity NPC113044
0.9038 High Similarity NPC161676
0.9038 High Similarity NPC470432
0.9038 High Similarity NPC78034
0.9038 High Similarity NPC231340
0.9038 High Similarity NPC305423
0.9038 High Similarity NPC473469
0.9029 High Similarity NPC148603
0.9029 High Similarity NPC476360
0.9029 High Similarity NPC75608
0.9029 High Similarity NPC476361
0.902 High Similarity NPC30289
0.902 High Similarity NPC213674
0.902 High Similarity NPC76497
0.902 High Similarity NPC256133
0.901 High Similarity NPC7341
0.901 High Similarity NPC282669
0.901 High Similarity NPC473200
0.9 High Similarity NPC473890
0.9 High Similarity NPC243728
0.8991 High Similarity NPC20979
0.8991 High Similarity NPC477807
0.8981 High Similarity NPC477808
0.8981 High Similarity NPC11548
0.8972 High Similarity NPC254255
0.8972 High Similarity NPC42171
0.8962 High Similarity NPC247037
0.8962 High Similarity NPC472717
0.8952 High Similarity NPC476541
0.8952 High Similarity NPC472897
0.8952 High Similarity NPC7213
0.8952 High Similarity NPC472896
0.8952 High Similarity NPC476539
0.8952 High Similarity NPC476540
0.8952 High Similarity NPC38217
0.8952 High Similarity NPC472988
0.8952 High Similarity NPC476538
0.8952 High Similarity NPC126147
0.8942 High Similarity NPC181845
0.8942 High Similarity NPC472899
0.8942 High Similarity NPC472898
0.8942 High Similarity NPC138057
0.8942 High Similarity NPC472900
0.8932 High Similarity NPC213190
0.8932 High Similarity NPC473198
0.8922 High Similarity NPC117714
0.8922 High Similarity NPC263756
0.8911 High Similarity NPC234287
0.8911 High Similarity NPC158088
0.8911 High Similarity NPC280825
0.8899 High Similarity NPC63609
0.8899 High Similarity NPC477031
0.8879 High Similarity NPC470748
0.8879 High Similarity NPC114188
0.8879 High Similarity NPC473021
0.8879 High Similarity NPC472987
0.8868 High Similarity NPC476835
0.8868 High Similarity NPC154085
0.8868 High Similarity NPC125361
0.8868 High Similarity NPC43976
0.8868 High Similarity NPC14630
0.8868 High Similarity NPC296761
0.8868 High Similarity NPC250089
0.8868 High Similarity NPC51925
0.8868 High Similarity NPC157530
0.8857 High Similarity NPC234160
0.8857 High Similarity NPC226642
0.8857 High Similarity NPC257964

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC302057 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
0.8261 Intermediate Similarity NPD8377 Approved
0.8261 Intermediate Similarity NPD8294 Approved
0.819 Intermediate Similarity NPD8379 Approved
0.819 Intermediate Similarity NPD8378 Approved
0.819 Intermediate Similarity NPD8296 Approved
0.819 Intermediate Similarity NPD8033 Approved
0.819 Intermediate Similarity NPD8335 Approved
0.819 Intermediate Similarity NPD8380 Approved
0.7895 Intermediate Similarity NPD8133 Approved
0.7778 Intermediate Similarity NPD7328 Approved
0.7778 Intermediate Similarity NPD7327 Approved
0.7731 Intermediate Similarity NPD7503 Approved
0.7714 Intermediate Similarity NPD8171 Discontinued
0.7712 Intermediate Similarity NPD7516 Approved
0.7679 Intermediate Similarity NPD6412 Phase 2
0.7619 Intermediate Similarity NPD8450 Suspended
0.7544 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD8449 Approved
0.7459 Intermediate Similarity NPD8328 Phase 3
0.7395 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD7507 Approved
0.7228 Intermediate Similarity NPD7525 Registered
0.7165 Intermediate Similarity NPD7319 Approved
0.7154 Intermediate Similarity NPD8517 Approved
0.7154 Intermediate Similarity NPD8515 Approved
0.7154 Intermediate Similarity NPD8516 Approved
0.7097 Intermediate Similarity NPD6370 Approved
0.7087 Intermediate Similarity NPD7736 Approved
0.7075 Intermediate Similarity NPD7524 Approved
0.7043 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD8513 Phase 3
0.7009 Intermediate Similarity NPD6686 Approved
0.7008 Intermediate Similarity NPD8293 Discontinued
0.6961 Remote Similarity NPD7645 Phase 2
0.6952 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6935 Remote Similarity NPD6054 Approved
0.6935 Remote Similarity NPD6059 Approved
0.69 Remote Similarity NPD6942 Approved
0.69 Remote Similarity NPD7339 Approved
0.6857 Remote Similarity NPD6695 Phase 3
0.6833 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6777 Remote Similarity NPD8297 Approved
0.6777 Remote Similarity NPD6882 Approved
0.6759 Remote Similarity NPD7750 Discontinued
0.6746 Remote Similarity NPD6015 Approved
0.6746 Remote Similarity NPD6016 Approved
0.6719 Remote Similarity NPD7492 Approved
0.6694 Remote Similarity NPD6009 Approved
0.6693 Remote Similarity NPD5988 Approved
0.6667 Remote Similarity NPD6616 Approved
0.6667 Remote Similarity NPD6933 Approved
0.6667 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6319 Approved
0.6641 Remote Similarity NPD6067 Discontinued
0.6615 Remote Similarity NPD7078 Approved
0.6609 Remote Similarity NPD7638 Approved
0.6607 Remote Similarity NPD6399 Phase 3
0.6606 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6585 Remote Similarity NPD4632 Approved
0.6571 Remote Similarity NPD6930 Phase 2
0.6571 Remote Similarity NPD6928 Phase 2
0.6571 Remote Similarity NPD6931 Approved
0.656 Remote Similarity NPD7115 Discovery
0.6555 Remote Similarity NPD5739 Approved
0.6555 Remote Similarity NPD6675 Approved
0.6555 Remote Similarity NPD6402 Approved
0.6555 Remote Similarity NPD7128 Approved
0.6552 Remote Similarity NPD7640 Approved
0.6552 Remote Similarity NPD7639 Approved
0.6529 Remote Similarity NPD6373 Approved
0.6529 Remote Similarity NPD6372 Approved
0.6481 Remote Similarity NPD4786 Approved
0.6479 Remote Similarity NPD7625 Phase 1
0.6476 Remote Similarity NPD6929 Approved
0.6471 Remote Similarity NPD6924 Approved
0.6471 Remote Similarity NPD6926 Approved
0.6446 Remote Similarity NPD6881 Approved
0.6446 Remote Similarity NPD7320 Approved
0.6446 Remote Similarity NPD6899 Approved
0.6442 Remote Similarity NPD6932 Approved
0.6439 Remote Similarity NPD6033 Approved
0.6423 Remote Similarity NPD8130 Phase 1
0.6423 Remote Similarity NPD6650 Approved
0.6423 Remote Similarity NPD6649 Approved
0.6404 Remote Similarity NPD7748 Approved
0.6379 Remote Similarity NPD4755 Approved
0.6379 Remote Similarity NPD7902 Approved
0.6372 Remote Similarity NPD8034 Phase 2
0.6372 Remote Similarity NPD8035 Phase 2
0.6372 Remote Similarity NPD7087 Discontinued
0.6364 Remote Similarity NPD5697 Approved
0.6364 Remote Similarity NPD5701 Approved
0.6341 Remote Similarity NPD7290 Approved
0.6341 Remote Similarity NPD7102 Approved
0.6341 Remote Similarity NPD6883 Approved
0.6341 Remote Similarity NPD4634 Approved
0.6339 Remote Similarity NPD5328 Approved
0.6321 Remote Similarity NPD6683 Phase 2
0.6316 Remote Similarity NPD4202 Approved
0.6311 Remote Similarity NPD4785 Approved
0.6311 Remote Similarity NPD4784 Approved
0.6311 Remote Similarity NPD1810 Approved
0.6311 Remote Similarity NPD1811 Approved
0.6296 Remote Similarity NPD3667 Approved
0.629 Remote Similarity NPD6847 Approved
0.629 Remote Similarity NPD6617 Approved
0.629 Remote Similarity NPD6869 Approved
0.6286 Remote Similarity NPD5776 Phase 2
0.6286 Remote Similarity NPD6925 Approved
0.6283 Remote Similarity NPD3168 Discontinued
0.6281 Remote Similarity NPD6008 Approved
0.6275 Remote Similarity NPD4243 Approved
0.6273 Remote Similarity NPD6893 Approved
0.6271 Remote Similarity NPD5285 Approved
0.6271 Remote Similarity NPD5286 Approved
0.6271 Remote Similarity NPD4700 Approved
0.6271 Remote Similarity NPD4696 Approved
0.6262 Remote Similarity NPD7509 Discontinued
0.6262 Remote Similarity NPD7514 Phase 3
0.6262 Remote Similarity NPD4748 Discontinued
0.626 Remote Similarity NPD6012 Approved
0.626 Remote Similarity NPD4061 Clinical (unspecified phase)
0.626 Remote Similarity NPD6014 Approved
0.626 Remote Similarity NPD7604 Phase 2
0.626 Remote Similarity NPD6013 Approved
0.6239 Remote Similarity NPD6083 Phase 2
0.6239 Remote Similarity NPD6084 Phase 2
0.6238 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6231 Remote Similarity NPD5983 Phase 2
0.6228 Remote Similarity NPD6079 Approved
0.6228 Remote Similarity NPD7515 Phase 2
0.6226 Remote Similarity NPD7145 Approved
0.6218 Remote Similarity NPD4159 Approved
0.6216 Remote Similarity NPD3618 Phase 1
0.6186 Remote Similarity NPD4225 Approved
0.6179 Remote Similarity NPD6011 Approved
0.6167 Remote Similarity NPD5211 Phase 2
0.6167 Remote Similarity NPD5226 Approved
0.6167 Remote Similarity NPD5225 Approved
0.6167 Remote Similarity NPD4633 Approved
0.6167 Remote Similarity NPD5224 Approved
0.6165 Remote Similarity NPD6336 Discontinued
0.616 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6148 Remote Similarity NPD4768 Approved
0.6148 Remote Similarity NPD4767 Approved
0.6126 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6121 Remote Similarity NPD7900 Approved
0.6121 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6119 Remote Similarity NPD8074 Phase 3
0.6117 Remote Similarity NPD7151 Approved
0.6117 Remote Similarity NPD7152 Approved
0.6117 Remote Similarity NPD7150 Approved
0.6116 Remote Similarity NPD5174 Approved
0.6116 Remote Similarity NPD5175 Approved
0.6111 Remote Similarity NPD7332 Phase 2
0.6087 Remote Similarity NPD7637 Suspended
0.6083 Remote Similarity NPD5344 Discontinued
0.6083 Remote Similarity NPD5223 Approved
0.608 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6078 Remote Similarity NPD6923 Approved
0.6078 Remote Similarity NPD6922 Approved
0.6066 Remote Similarity NPD5141 Approved
0.6055 Remote Similarity NPD6902 Approved
0.6055 Remote Similarity NPD6898 Phase 1
0.6053 Remote Similarity NPD6051 Approved
0.6053 Remote Similarity NPD4753 Phase 2
0.605 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6048 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6048 Remote Similarity NPD4729 Approved
0.6048 Remote Similarity NPD4730 Approved
0.6033 Remote Similarity NPD7632 Discontinued
0.6019 Remote Similarity NPD2686 Approved
0.6019 Remote Similarity NPD2687 Approved
0.6019 Remote Similarity NPD2254 Approved
0.6019 Remote Similarity NPD7143 Approved
0.6019 Remote Similarity NPD7144 Approved
0.6017 Remote Similarity NPD5222 Approved
0.6017 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6017 Remote Similarity NPD4697 Phase 3
0.6017 Remote Similarity NPD5221 Approved
0.5985 Remote Similarity NPD5956 Approved
0.5984 Remote Similarity NPD6430 Approved
0.5984 Remote Similarity NPD6429 Approved
0.5984 Remote Similarity NPD4754 Approved
0.5969 Remote Similarity NPD6274 Approved
0.5966 Remote Similarity NPD5173 Approved
0.5954 Remote Similarity NPD7101 Approved
0.5954 Remote Similarity NPD7100 Approved
0.5952 Remote Similarity NPD5250 Approved
0.5952 Remote Similarity NPD5248 Approved
0.5952 Remote Similarity NPD5247 Approved
0.5952 Remote Similarity NPD5251 Approved
0.5952 Remote Similarity NPD5249 Phase 3
0.5946 Remote Similarity NPD3669 Approved
0.5946 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5943 Remote Similarity NPD4190 Phase 3
0.5943 Remote Similarity NPD5275 Approved
0.5932 Remote Similarity NPD7991 Discontinued
0.5932 Remote Similarity NPD5695 Phase 3
0.592 Remote Similarity NPD5128 Approved

Structure

External Identifiers

PubChem CID   44423070
ChEMBL   CHEMBL227760
ZINC  

Physicochemical Properties

Molecular Weight:  1286.65
ALogP:  -7.9145
MLogP:  4.87
XLogP:  -0.728
# Rotatable Bonds:  47
Polar Surface Area:  476.67
# H-Bond Aceptor:  29
# H-Bond Donor:  19
# Rings:  9
# Heavy Atoms:  89

Download Data

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