Natural Product: NPC472769

Natural Product ID:  NPC472769
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C33H40O15
Standard InCHIKey:  AWCRMZMPNCVDTK-GLEGPAFTSA-N
Standard InCHI:  InChI=1S/C33H40O15/c1-13-22-24(40)31(7)18(11-19(37)42-9)30(5,6)27(45-16(4)36)23(43-14(2)34)28(31)48-33(13)12-21(39)46-25(17-10-20(38)47-29(17)41)32(33,8)26(22)44-15(3)35/h10,18,20,22-23,25-28,38H,1,11-12H2,2-9H3/t18-,20-,22-,23-,25-,26-,27+,28-,31-,32+,33-/m0/s1
Canonical SMILES:  COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C)[C@@H]([C@H]2[C@]1(C)C(=O)[C@H]1[C@@H]([C@@]3([C@@](O2)(C1=C)CC(=O)O[C@H]3C1=C[C@H](OC1=O)O)C)OC(=O)C)OC(=O)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
NPO4584 Cipadessa cinerascens Species Meliaceae Eukaryota Leaves Longlin County of Guangxi Province, China 2012-JUL PMID[25970729]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 > 100000 nM 15743198

  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 NPC472769 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
0.9833 High Similarity NPC472770
0.9417 High Similarity NPC472768
0.8968 High Similarity NPC471170
0.8889 High Similarity NPC175186
0.874 High Similarity NPC104382
0.8594 High Similarity NPC470851
0.8516 High Similarity NPC311534
0.8492 Intermediate Similarity NPC469382
0.8438 Intermediate Similarity NPC117702
0.8438 Intermediate Similarity NPC471357
0.8438 Intermediate Similarity NPC146456
0.8438 Intermediate Similarity NPC469757
0.8425 Intermediate Similarity NPC469379
0.8425 Intermediate Similarity NPC86346
0.8425 Intermediate Similarity NPC75856
0.8385 Intermediate Similarity NPC173347
0.8385 Intermediate Similarity NPC476855
0.8372 Intermediate Similarity NPC470850
0.8333 Intermediate Similarity NPC471234
0.8321 Intermediate Similarity NPC471855
0.8309 Intermediate Similarity NPC48414
0.8309 Intermediate Similarity NPC5153
0.8308 Intermediate Similarity NPC469755
0.8308 Intermediate Similarity NPC6108
0.8308 Intermediate Similarity NPC471360
0.8308 Intermediate Similarity NPC469751
0.8308 Intermediate Similarity NPC469753
0.8308 Intermediate Similarity NPC197707
0.8308 Intermediate Similarity NPC231529
0.8308 Intermediate Similarity NPC471359
0.8308 Intermediate Similarity NPC219085
0.8308 Intermediate Similarity NPC9499
0.8308 Intermediate Similarity NPC471352
0.8308 Intermediate Similarity NPC89514
0.8308 Intermediate Similarity NPC86159
0.8308 Intermediate Similarity NPC284406
0.8308 Intermediate Similarity NPC17896
0.8308 Intermediate Similarity NPC471358
0.8308 Intermediate Similarity NPC180079
0.8308 Intermediate Similarity NPC471361
0.8308 Intermediate Similarity NPC469754
0.8308 Intermediate Similarity NPC70542
0.8308 Intermediate Similarity NPC251866
0.8308 Intermediate Similarity NPC476854
0.8308 Intermediate Similarity NPC469752
0.8308 Intermediate Similarity NPC10823
0.8295 Intermediate Similarity NPC42399
0.8295 Intermediate Similarity NPC287423
0.8268 Intermediate Similarity NPC470419
0.8258 Intermediate Similarity NPC225385
0.8258 Intermediate Similarity NPC469749
0.8258 Intermediate Similarity NPC104585
0.8258 Intermediate Similarity NPC32793
0.8258 Intermediate Similarity NPC157817
0.8258 Intermediate Similarity NPC142756
0.8258 Intermediate Similarity NPC298783
0.8258 Intermediate Similarity NPC247190
0.8258 Intermediate Similarity NPC146857
0.8258 Intermediate Similarity NPC116075
0.8254 Intermediate Similarity NPC472004
0.8254 Intermediate Similarity NPC151616
0.8244 Intermediate Similarity NPC476852
0.8231 Intermediate Similarity NPC476859
0.8231 Intermediate Similarity NPC473620
0.8209 Intermediate Similarity NPC59288
0.8203 Intermediate Similarity NPC27363
0.8195 Intermediate Similarity NPC329636
0.8189 Intermediate Similarity NPC310511
0.8189 Intermediate Similarity NPC472001
0.8188 Intermediate Similarity NPC471172
0.8182 Intermediate Similarity NPC93416
0.8175 Intermediate Similarity NPC469380
0.8168 Intermediate Similarity NPC476851
0.8168 Intermediate Similarity NPC476966
0.8168 Intermediate Similarity NPC471407
0.8154 Intermediate Similarity NPC179412
0.8154 Intermediate Similarity NPC329784
0.8154 Intermediate Similarity NPC240070
0.8154 Intermediate Similarity NPC298841
0.8154 Intermediate Similarity NPC471356
0.8134 Intermediate Similarity NPC194716
0.8129 Intermediate Similarity NPC194854
0.8129 Intermediate Similarity NPC48813
0.8125 Intermediate Similarity NPC28532
0.8125 Intermediate Similarity NPC269642
0.812 Intermediate Similarity NPC477709
0.812 Intermediate Similarity NPC476221
0.812 Intermediate Similarity NPC88668
0.8116 Intermediate Similarity NPC471171
0.811 Intermediate Similarity NPC48692
0.8106 Intermediate Similarity NPC476862
0.8106 Intermediate Similarity NPC253456
0.8106 Intermediate Similarity NPC16569
0.8106 Intermediate Similarity NPC473838
0.8106 Intermediate Similarity NPC476863
0.8106 Intermediate Similarity NPC159338
0.8106 Intermediate Similarity NPC475389
0.8095 Intermediate Similarity NPC470420
0.8092 Intermediate Similarity NPC245094
0.8092 Intermediate Similarity NPC270109
0.8088 Intermediate Similarity NPC79250
0.8088 Intermediate Similarity NPC290746
0.808 Intermediate Similarity NPC106228
0.808 Intermediate Similarity NPC138372
0.8077 Intermediate Similarity NPC174367
0.8077 Intermediate Similarity NPC250556
0.8077 Intermediate Similarity NPC469750
0.8077 Intermediate Similarity NPC47113
0.8074 Intermediate Similarity NPC329675
0.8071 Intermediate Similarity NPC16729
0.8071 Intermediate Similarity NPC475462
0.8062 Intermediate Similarity NPC471392
0.8062 Intermediate Similarity NPC472399
0.806 Intermediate Similarity NPC478072
0.8047 Intermediate Similarity NPC471999
0.8047 Intermediate Similarity NPC470829
0.8047 Intermediate Similarity NPC473228
0.8047 Intermediate Similarity NPC472000
0.8047 Intermediate Similarity NPC202051
0.8047 Intermediate Similarity NPC470418
0.8045 Intermediate Similarity NPC231240
0.8045 Intermediate Similarity NPC19124
0.8045 Intermediate Similarity NPC180902
0.8045 Intermediate Similarity NPC475139
0.8045 Intermediate Similarity NPC42670
0.8031 Intermediate Similarity NPC472667
0.8031 Intermediate Similarity NPC312536
0.8031 Intermediate Similarity NPC9674
0.8031 Intermediate Similarity NPC19028
0.803 Intermediate Similarity NPC232785
0.803 Intermediate Similarity NPC125077
0.803 Intermediate Similarity NPC276838
0.803 Intermediate Similarity NPC188234
0.803 Intermediate Similarity NPC91
0.803 Intermediate Similarity NPC329986
0.803 Intermediate Similarity NPC140092
0.8015 Intermediate Similarity NPC470882
0.8 Intermediate Similarity NPC178289
0.8 Intermediate Similarity NPC171619
0.8 Intermediate Similarity NPC318135
0.8 Intermediate Similarity NPC90472
0.7985 Intermediate Similarity NPC316915
0.7984 Intermediate Similarity NPC107493
0.7984 Intermediate Similarity NPC19464
0.7969 Intermediate Similarity NPC143755
0.7969 Intermediate Similarity NPC4548
0.7969 Intermediate Similarity NPC470312
0.7956 Intermediate Similarity NPC75616
0.7955 Intermediate Similarity NPC476078
0.7955 Intermediate Similarity NPC476091
0.7953 Intermediate Similarity NPC234522
0.7953 Intermediate Similarity NPC475372
0.7939 Intermediate Similarity NPC222307
0.7939 Intermediate Similarity NPC293112
0.7939 Intermediate Similarity NPC473635
0.7937 Intermediate Similarity NPC471816
0.7937 Intermediate Similarity NPC470793
0.7926 Intermediate Similarity NPC100017
0.7926 Intermediate Similarity NPC471136
0.7926 Intermediate Similarity NPC182266
0.7926 Intermediate Similarity NPC473548
0.7926 Intermediate Similarity NPC223356
0.7926 Intermediate Similarity NPC471137
0.7926 Intermediate Similarity NPC475500
0.7926 Intermediate Similarity NPC475154
0.7926 Intermediate Similarity NPC476823
0.7923 Intermediate Similarity NPC473979
0.7923 Intermediate Similarity NPC129992
0.7907 Intermediate Similarity NPC52839
0.7907 Intermediate Similarity NPC472401
0.7907 Intermediate Similarity NPC46570
0.7895 Intermediate Similarity NPC473593
0.7895 Intermediate Similarity NPC162495
0.7891 Intermediate Similarity NPC472933
0.7891 Intermediate Similarity NPC44899
0.7891 Intermediate Similarity NPC304260
0.7891 Intermediate Similarity NPC5883
0.7891 Intermediate Similarity NPC475041
0.7891 Intermediate Similarity NPC29639
0.7886 Intermediate Similarity NPC273433
0.7883 Intermediate Similarity NPC295885
0.7883 Intermediate Similarity NPC596
0.7883 Intermediate Similarity NPC140045
0.7879 Intermediate Similarity NPC473265
0.7879 Intermediate Similarity NPC475273
0.7879 Intermediate Similarity NPC168849
0.7874 Intermediate Similarity NPC10721
0.7874 Intermediate Similarity NPC473656
0.7874 Intermediate Similarity NPC470171
0.7863 Intermediate Similarity NPC473919
0.7863 Intermediate Similarity NPC470922
0.7863 Intermediate Similarity NPC172154
0.7863 Intermediate Similarity NPC81736
0.7863 Intermediate Similarity NPC473709
0.7857 Intermediate Similarity NPC181145
0.7852 Intermediate Similarity NPC469673
0.7852 Intermediate Similarity NPC469674
0.7852 Intermediate Similarity NPC168879
0.7846 Intermediate Similarity NPC222688
0.7842 Intermediate Similarity NPC25887

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472769 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
0.8308 Intermediate Similarity NPD7319 Approved
0.8077 Intermediate Similarity NPD7507 Approved
0.7769 Intermediate Similarity NPD8033 Approved
0.7752 Intermediate Similarity NPD7516 Approved
0.7687 Intermediate Similarity NPD7736 Approved
0.7674 Intermediate Similarity NPD7328 Approved
0.7674 Intermediate Similarity NPD7327 Approved
0.7634 Intermediate Similarity NPD8379 Approved
0.7634 Intermediate Similarity NPD8335 Approved
0.7634 Intermediate Similarity NPD8378 Approved
0.7634 Intermediate Similarity NPD8296 Approved
0.7634 Intermediate Similarity NPD8380 Approved
0.7612 Intermediate Similarity NPD8293 Discontinued
0.7576 Intermediate Similarity NPD6370 Approved
0.7557 Intermediate Similarity NPD8294 Approved
0.7557 Intermediate Similarity NPD8377 Approved
0.752 Intermediate Similarity NPD6686 Approved
0.7463 Intermediate Similarity NPD7492 Approved
0.7424 Intermediate Similarity NPD6054 Approved
0.7407 Intermediate Similarity NPD6616 Approved
0.7353 Intermediate Similarity NPD7078 Approved
0.7328 Intermediate Similarity NPD7115 Discovery
0.7293 Intermediate Similarity NPD6059 Approved
0.7293 Intermediate Similarity NPD6319 Approved
0.7287 Intermediate Similarity NPD8297 Approved
0.7287 Intermediate Similarity NPD6053 Discontinued
0.7266 Intermediate Similarity NPD6371 Approved
0.7239 Intermediate Similarity NPD6016 Approved
0.7239 Intermediate Similarity NPD6015 Approved
0.7185 Intermediate Similarity NPD5988 Approved
0.7165 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD6882 Approved
0.7132 Intermediate Similarity NPD8328 Phase 3
0.7111 Intermediate Similarity NPD8513 Phase 3
0.7111 Intermediate Similarity NPD8516 Approved
0.7111 Intermediate Similarity NPD8517 Approved
0.7111 Intermediate Similarity NPD7503 Approved
0.7111 Intermediate Similarity NPD8515 Approved
0.7087 Intermediate Similarity NPD6008 Approved
0.7077 Intermediate Similarity NPD6650 Approved
0.7077 Intermediate Similarity NPD6649 Approved
0.7068 Intermediate Similarity NPD6009 Approved
0.7054 Intermediate Similarity NPD6372 Approved
0.7054 Intermediate Similarity NPD6373 Approved
0.7031 Intermediate Similarity NPD6412 Phase 2
0.7016 Intermediate Similarity NPD4225 Approved
0.6977 Remote Similarity NPD6899 Approved
0.6977 Remote Similarity NPD7320 Approved
0.6977 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6977 Remote Similarity NPD6881 Approved
0.6972 Remote Similarity NPD8338 Approved
0.697 Remote Similarity NPD4632 Approved
0.697 Remote Similarity NPD8133 Approved
0.696 Remote Similarity NPD7639 Approved
0.696 Remote Similarity NPD7640 Approved
0.6953 Remote Similarity NPD6402 Approved
0.6953 Remote Similarity NPD5739 Approved
0.6953 Remote Similarity NPD6675 Approved
0.6953 Remote Similarity NPD7128 Approved
0.6947 Remote Similarity NPD8130 Phase 1
0.6899 Remote Similarity NPD5697 Approved
0.688 Remote Similarity NPD7638 Approved
0.687 Remote Similarity NPD5955 Clinical (unspecified phase)
0.687 Remote Similarity NPD6883 Approved
0.687 Remote Similarity NPD7290 Approved
0.687 Remote Similarity NPD7102 Approved
0.6818 Remote Similarity NPD6869 Approved
0.6818 Remote Similarity NPD6847 Approved
0.6818 Remote Similarity NPD6617 Approved
0.6815 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6809 Remote Similarity NPD6033 Approved
0.6794 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6794 Remote Similarity NPD6012 Approved
0.6794 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6794 Remote Similarity NPD6014 Approved
0.6794 Remote Similarity NPD6013 Approved
0.6769 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6769 Remote Similarity NPD5701 Approved
0.6763 Remote Similarity NPD7604 Phase 2
0.6742 Remote Similarity NPD4634 Approved
0.6739 Remote Similarity NPD5983 Phase 2
0.6721 Remote Similarity NPD5785 Approved
0.6719 Remote Similarity NPD5211 Phase 2
0.6718 Remote Similarity NPD6011 Approved
0.669 Remote Similarity NPD8336 Approved
0.669 Remote Similarity NPD8337 Approved
0.6667 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD7260 Phase 2
0.6641 Remote Similarity NPD5344 Discontinued
0.664 Remote Similarity NPD1698 Clinical (unspecified phase)
0.662 Remote Similarity NPD8074 Phase 3
0.6615 Remote Similarity NPD5141 Approved
0.6614 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6567 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6562 Remote Similarity NPD5286 Approved
0.6562 Remote Similarity NPD4696 Approved
0.6562 Remote Similarity NPD5285 Approved
0.6562 Remote Similarity NPD6648 Approved
0.6535 Remote Similarity NPD4755 Approved
0.6525 Remote Similarity NPD6067 Discontinued
0.6507 Remote Similarity NPD6845 Suspended
0.65 Remote Similarity NPD6921 Approved
0.6496 Remote Similarity NPD6274 Approved
0.6488 Remote Similarity NPD7799 Discontinued
0.6484 Remote Similarity NPD5696 Approved
0.6475 Remote Similarity NPD7101 Approved
0.6475 Remote Similarity NPD7100 Approved
0.6462 Remote Similarity NPD5225 Approved
0.6462 Remote Similarity NPD4633 Approved
0.6462 Remote Similarity NPD7632 Discontinued
0.6462 Remote Similarity NPD5224 Approved
0.6462 Remote Similarity NPD5226 Approved
0.6452 Remote Similarity NPD46 Approved
0.6452 Remote Similarity NPD6698 Approved
0.6444 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6434 Remote Similarity NPD4700 Approved
0.6412 Remote Similarity NPD5174 Approved
0.6412 Remote Similarity NPD5175 Approved
0.6406 Remote Similarity NPD6084 Phase 2
0.6406 Remote Similarity NPD6083 Phase 2
0.6403 Remote Similarity NPD6335 Approved
0.64 Remote Similarity NPD7637 Suspended
0.64 Remote Similarity NPD7983 Approved
0.6385 Remote Similarity NPD5223 Approved
0.6383 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6378 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6364 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6349 Remote Similarity NPD5778 Approved
0.6349 Remote Similarity NPD5779 Approved
0.6349 Remote Similarity NPD6399 Phase 3
0.6343 Remote Similarity NPD4730 Approved
0.6343 Remote Similarity NPD4729 Approved
0.6333 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6331 Remote Similarity NPD6317 Approved
0.6316 Remote Similarity NPD4767 Approved
0.6316 Remote Similarity NPD4768 Approved
0.6311 Remote Similarity NPD5363 Approved
0.6294 Remote Similarity NPD7829 Approved
0.6294 Remote Similarity NPD7830 Approved
0.6294 Remote Similarity NPD7642 Approved
0.6286 Remote Similarity NPD6313 Approved
0.6286 Remote Similarity NPD6314 Approved
0.6282 Remote Similarity NPD7625 Phase 1
0.627 Remote Similarity NPD6079 Approved
0.6268 Remote Similarity NPD8444 Approved
0.6268 Remote Similarity NPD6908 Approved
0.6268 Remote Similarity NPD6909 Approved
0.626 Remote Similarity NPD1700 Approved
0.626 Remote Similarity NPD5786 Approved
0.6259 Remote Similarity NPD5956 Approved
0.625 Remote Similarity NPD5250 Approved
0.625 Remote Similarity NPD5695 Phase 3
0.625 Remote Similarity NPD5249 Phase 3
0.625 Remote Similarity NPD5248 Approved
0.625 Remote Similarity NPD5210 Approved
0.625 Remote Similarity NPD4629 Approved
0.625 Remote Similarity NPD5247 Approved
0.625 Remote Similarity NPD5251 Approved
0.624 Remote Similarity NPD5328 Approved
0.624 Remote Similarity NPD1695 Approved
0.6222 Remote Similarity NPD5128 Approved
0.622 Remote Similarity NPD4202 Approved
0.6207 Remote Similarity NPD8451 Approved
0.6202 Remote Similarity NPD7839 Suspended
0.6198 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6184 Remote Similarity NPD6333 Approved
0.6184 Remote Similarity NPD6334 Approved
0.6172 Remote Similarity NPD5282 Discontinued
0.6165 Remote Similarity NPD4754 Approved
0.6164 Remote Similarity NPD8448 Approved
0.616 Remote Similarity NPD6903 Approved
0.6154 Remote Similarity NPD7902 Approved
0.6142 Remote Similarity NPD5693 Phase 1
0.6142 Remote Similarity NPD6411 Approved
0.6138 Remote Similarity NPD8342 Approved
0.6138 Remote Similarity NPD8341 Approved
0.6138 Remote Similarity NPD8299 Approved
0.6138 Remote Similarity NPD8340 Approved
0.6129 Remote Similarity NPD7521 Approved
0.6129 Remote Similarity NPD5330 Approved
0.6129 Remote Similarity NPD7146 Approved
0.6129 Remote Similarity NPD6409 Approved
0.6129 Remote Similarity NPD7334 Approved
0.6129 Remote Similarity NPD6684 Approved
0.6111 Remote Similarity NPD8080 Discontinued
0.6098 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6087 Remote Similarity NPD5215 Approved
0.6087 Remote Similarity NPD5216 Approved
0.6087 Remote Similarity NPD5217 Approved
0.608 Remote Similarity NPD7524 Approved
0.608 Remote Similarity NPD4251 Approved
0.608 Remote Similarity NPD4250 Approved
0.6077 Remote Similarity NPD5221 Approved
0.6077 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6077 Remote Similarity NPD5222 Approved
0.6077 Remote Similarity NPD4697 Phase 3
0.6066 Remote Similarity NPD6435 Approved
0.6066 Remote Similarity NPD4270 Approved
0.6066 Remote Similarity NPD4269 Approved
0.6063 Remote Similarity NPD7838 Discovery

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3582098
ZINC  

Physicochemical Properties

Molecular Weight:  676.24
ALogP:  0.3392
MLogP:  3.44
XLogP:  0.051
# Rotatable Bonds:  19
Polar Surface Area:  204.33
# H-Bond Aceptor:  15
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  48

Download Data

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