Natural Product: NPC473633

Natural Product ID:  NPC473633
Common Name:   Draconin B
IUPAC Name:  
Synonyms:   draconin B
Molecular Formula:   C42H62O16
Standard InCHIKey:  RKZQYSQHBPDHHB-ASZZWXFMSA-N
Standard InCHI:  InChI=1S/C42H62O16/c1-17-15-52-42(37(50)31(17)47)18(2)30-28(58-42)14-26-24-9-8-22-12-23(45)13-29(41(22,7)25(24)10-11-40(26,30)6)56-38-35(33(49)27(46)16-51-38)57-39-36(55-21(5)44)34(54-20(4)43)32(48)19(3)53-39/h8,18-19,23-39,45-50H,1,9-16H2,2-7H3/t18-,19-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,42-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O)O[C@@H]2C[C@H](O)CC3=CC[C@@H]4[C@@H]([C@@]23C)CC[C@]2([C@H]4C[C@H]3[C@@H]2[C@H](C)[C@@]2(O3)OCC(=C)[C@@H]([C@@H]2O)O)C)O[C@H]([C@@H]([C@H]1OC(=O)C)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
NPO3545 Dracaena draco Species Asparagaceae Eukaryota bark PMID[12828464]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 = 39000 nM 12392731
NPT116 Cell Line HL-60 Homo sapiens Activity = 9.4 % 21680190

  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 NPC473633 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 NPC476085
0.9909 High Similarity NPC50689
0.9908 High Similarity NPC160888
0.9908 High Similarity NPC475403
0.9818 High Similarity NPC195560
0.9818 High Similarity NPC229962
0.973 High Similarity NPC233391
0.973 High Similarity NPC207243
0.973 High Similarity NPC198325
0.9646 High Similarity NPC257207
0.9646 High Similarity NPC295133
0.9558 High Similarity NPC43842
0.9545 High Similarity NPC63609
0.9541 High Similarity NPC51154
0.9474 High Similarity NPC202261
0.9474 High Similarity NPC106589
0.9459 High Similarity NPC477807
0.9455 High Similarity NPC11548
0.945 High Similarity NPC112274
0.9369 High Similarity NPC477029
0.9369 High Similarity NPC477030
0.9358 High Similarity NPC13190
0.9279 High Similarity NPC477808
0.9273 High Similarity NPC42171
0.9204 High Similarity NPC475357
0.9196 High Similarity NPC477031
0.9196 High Similarity NPC148965
0.9182 High Similarity NPC470748
0.9182 High Similarity NPC475247
0.9182 High Similarity NPC294129
0.9174 High Similarity NPC477026
0.9174 High Similarity NPC306131
0.9174 High Similarity NPC477027
0.9174 High Similarity NPC475670
0.9174 High Similarity NPC70204
0.9091 High Similarity NPC141433
0.9083 High Similarity NPC476541
0.9083 High Similarity NPC476538
0.9083 High Similarity NPC98696
0.9083 High Similarity NPC476539
0.9083 High Similarity NPC476540
0.9083 High Similarity NPC295980
0.9027 High Similarity NPC146652
0.9018 High Similarity NPC144068
0.9009 High Similarity NPC114188
0.9 High Similarity NPC248746
0.9 High Similarity NPC95051
0.9 High Similarity NPC171073
0.9 High Similarity NPC6806
0.9 High Similarity NPC309278
0.9 High Similarity NPC218571
0.9 High Similarity NPC232054
0.9 High Similarity NPC208383
0.9 High Similarity NPC470433
0.9 High Similarity NPC475333
0.9 High Similarity NPC22779
0.9 High Similarity NPC300557
0.9 High Similarity NPC102016
0.9 High Similarity NPC194207
0.9 High Similarity NPC475550
0.9 High Similarity NPC249265
0.9 High Similarity NPC84956
0.9 High Similarity NPC73243
0.9 High Similarity NPC224098
0.9 High Similarity NPC244086
0.9 High Similarity NPC477809
0.9 High Similarity NPC150372
0.9 High Similarity NPC46190
0.8991 High Similarity NPC470432
0.8991 High Similarity NPC283829
0.8991 High Similarity NPC305423
0.8991 High Similarity NPC14704
0.8991 High Similarity NPC230507
0.8991 High Similarity NPC113044
0.8991 High Similarity NPC161676
0.8974 High Similarity NPC208193
0.8974 High Similarity NPC117445
0.8974 High Similarity NPC308262
0.8966 High Similarity NPC120390
0.8966 High Similarity NPC475419
0.8966 High Similarity NPC173555
0.8966 High Similarity NPC314535
0.8966 High Similarity NPC474908
0.8966 High Similarity NPC475590
0.8919 High Similarity NPC477811
0.8919 High Similarity NPC222202
0.8919 High Similarity NPC269297
0.8919 High Similarity NPC224314
0.8919 High Similarity NPC87998
0.8919 High Similarity NPC247037
0.8919 High Similarity NPC23808
0.8899 High Similarity NPC181845
0.8899 High Similarity NPC473476
0.8899 High Similarity NPC473923
0.8889 High Similarity NPC474423
0.8889 High Similarity NPC264336
0.8889 High Similarity NPC193893
0.8889 High Similarity NPC74259
0.8879 High Similarity NPC72260
0.8879 High Similarity NPC475629
0.8879 High Similarity NPC475358
0.8879 High Similarity NPC475556
0.8879 High Similarity NPC107607
0.8879 High Similarity NPC473566
0.887 High Similarity NPC218093
0.886 High Similarity NPC207637
0.885 High Similarity NPC469347
0.885 High Similarity NPC469348
0.8839 High Similarity NPC124677
0.8839 High Similarity NPC13193
0.8839 High Similarity NPC477028
0.8839 High Similarity NPC197231
0.8839 High Similarity NPC477032
0.8839 High Similarity NPC476547
0.8829 High Similarity NPC157530
0.8829 High Similarity NPC40440
0.8829 High Similarity NPC42482
0.8829 High Similarity NPC14630
0.8829 High Similarity NPC250089
0.8818 High Similarity NPC94272
0.8818 High Similarity NPC226642
0.8803 High Similarity NPC475219
0.8803 High Similarity NPC231518
0.8803 High Similarity NPC40749
0.8793 High Similarity NPC236973
0.8793 High Similarity NPC291820
0.8793 High Similarity NPC469756
0.8793 High Similarity NPC32177
0.8793 High Similarity NPC292467
0.8793 High Similarity NPC30483
0.8793 High Similarity NPC81222
0.8793 High Similarity NPC470897
0.8793 High Similarity NPC55532
0.8783 High Similarity NPC100048
0.8783 High Similarity NPC203862
0.8783 High Similarity NPC20979
0.8783 High Similarity NPC476690
0.8772 High Similarity NPC477810
0.8761 High Similarity NPC244431
0.8761 High Similarity NPC254255
0.8761 High Similarity NPC32361
0.8761 High Similarity NPC210569
0.8761 High Similarity NPC31896
0.8761 High Similarity NPC19888
0.8761 High Similarity NPC263359
0.8727 High Similarity NPC309448
0.8727 High Similarity NPC242748
0.8718 High Similarity NPC475136
0.8718 High Similarity NPC474466
0.8707 High Similarity NPC10366
0.8696 High Similarity NPC212660
0.8684 High Similarity NPC79900
0.8684 High Similarity NPC307642
0.8684 High Similarity NPC476693
0.8673 High Similarity NPC65167
0.8655 High Similarity NPC256983
0.8649 High Similarity NPC234160
0.8649 High Similarity NPC473469
0.8649 High Similarity NPC190395
0.8636 High Similarity NPC93352
0.8632 High Similarity NPC329905
0.8632 High Similarity NPC44899
0.8632 High Similarity NPC304260
0.8632 High Similarity NPC29639
0.8632 High Similarity NPC5883
0.8621 High Similarity NPC87250
0.8621 High Similarity NPC471355
0.8621 High Similarity NPC84987
0.8621 High Similarity NPC309034
0.8621 High Similarity NPC471354
0.8621 High Similarity NPC34390
0.8621 High Similarity NPC244402
0.8621 High Similarity NPC196429
0.8621 High Similarity NPC142066
0.8621 High Similarity NPC474418
0.8621 High Similarity NPC158344
0.8621 High Similarity NPC471351
0.8621 High Similarity NPC27507
0.8621 High Similarity NPC93883
0.8621 High Similarity NPC77319
0.8621 High Similarity NPC157376
0.8621 High Similarity NPC99728
0.8621 High Similarity NPC50305
0.8621 High Similarity NPC471353
0.8621 High Similarity NPC473852
0.8621 High Similarity NPC243196
0.8609 High Similarity NPC32707
0.8609 High Similarity NPC167183
0.8596 High Similarity NPC216595
0.8596 High Similarity NPC473567
0.8596 High Similarity NPC308140
0.8584 High Similarity NPC170974
0.8584 High Similarity NPC65155
0.8584 High Similarity NPC191439
0.8584 High Similarity NPC103627
0.8571 High Similarity NPC220427
0.8571 High Similarity NPC472988
0.8571 High Similarity NPC38217
0.8571 High Similarity NPC49032
0.8571 High Similarity NPC125324

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473633 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
0.8966 High Similarity NPD8335 Approved
0.8966 High Similarity NPD8380 Approved
0.8966 High Similarity NPD8379 Approved
0.8966 High Similarity NPD8378 Approved
0.8966 High Similarity NPD8296 Approved
0.8879 High Similarity NPD8377 Approved
0.8879 High Similarity NPD8294 Approved
0.8803 High Similarity NPD8033 Approved
0.8547 High Similarity NPD7327 Approved
0.8547 High Similarity NPD7328 Approved
0.8475 Intermediate Similarity NPD7516 Approved
0.8205 Intermediate Similarity NPD8133 Approved
0.8182 Intermediate Similarity NPD7503 Approved
0.792 Intermediate Similarity NPD7507 Approved
0.7874 Intermediate Similarity NPD7319 Approved
0.7692 Intermediate Similarity NPD6412 Phase 2
0.7568 Intermediate Similarity NPD8171 Discontinued
0.75 Intermediate Similarity NPD8450 Suspended
0.7479 Intermediate Similarity NPD6686 Approved
0.746 Intermediate Similarity NPD8513 Phase 3
0.746 Intermediate Similarity NPD8516 Approved
0.746 Intermediate Similarity NPD8515 Approved
0.746 Intermediate Similarity NPD8517 Approved
0.7424 Intermediate Similarity NPD8449 Approved
0.7417 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD7736 Approved
0.7344 Intermediate Similarity NPD8328 Phase 3
0.7308 Intermediate Similarity NPD8293 Discontinued
0.728 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD7639 Approved
0.7179 Intermediate Similarity NPD7640 Approved
0.7154 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD6370 Approved
0.7094 Intermediate Similarity NPD7638 Approved
0.7023 Intermediate Similarity NPD7492 Approved
0.6993 Remote Similarity NPD7625 Phase 1
0.6977 Remote Similarity NPD6059 Approved
0.6977 Remote Similarity NPD6054 Approved
0.697 Remote Similarity NPD6616 Approved
0.6917 Remote Similarity NPD7078 Approved
0.6875 Remote Similarity NPD7115 Discovery
0.6825 Remote Similarity NPD8297 Approved
0.6825 Remote Similarity NPD6882 Approved
0.6818 Remote Similarity NPD6067 Discontinued
0.6814 Remote Similarity NPD7524 Approved
0.6807 Remote Similarity NPD4225 Approved
0.6794 Remote Similarity NPD6016 Approved
0.6794 Remote Similarity NPD6015 Approved
0.6744 Remote Similarity NPD6009 Approved
0.6742 Remote Similarity NPD5988 Approved
0.6718 Remote Similarity NPD6319 Approved
0.6696 Remote Similarity NPD6051 Approved
0.6696 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6399 Phase 3
0.6641 Remote Similarity NPD4632 Approved
0.664 Remote Similarity NPD7320 Approved
0.6639 Remote Similarity NPD7632 Discontinued
0.6613 Remote Similarity NPD6008 Approved
0.6613 Remote Similarity NPD6675 Approved
0.6613 Remote Similarity NPD7128 Approved
0.6613 Remote Similarity NPD6402 Approved
0.6613 Remote Similarity NPD5739 Approved
0.6607 Remote Similarity NPD6695 Phase 3
0.6587 Remote Similarity NPD6372 Approved
0.6587 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6587 Remote Similarity NPD6373 Approved
0.6581 Remote Similarity NPD7637 Suspended
0.6562 Remote Similarity NPD6053 Discontinued
0.6557 Remote Similarity NPD5344 Discontinued
0.6544 Remote Similarity NPD8074 Phase 3
0.6529 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7750 Discontinued
0.6508 Remote Similarity NPD6899 Approved
0.6508 Remote Similarity NPD6881 Approved
0.6496 Remote Similarity NPD6033 Approved
0.6486 Remote Similarity NPD6928 Phase 2
0.6484 Remote Similarity NPD8130 Phase 1
0.6484 Remote Similarity NPD6649 Approved
0.6484 Remote Similarity NPD6650 Approved
0.6446 Remote Similarity NPD6084 Phase 2
0.6446 Remote Similarity NPD6083 Phase 2
0.6429 Remote Similarity NPD5701 Approved
0.6429 Remote Similarity NPD5697 Approved
0.6422 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6406 Remote Similarity NPD7102 Approved
0.6406 Remote Similarity NPD6883 Approved
0.6406 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6406 Remote Similarity NPD7290 Approved
0.6404 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6396 Remote Similarity NPD6929 Approved
0.6378 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6357 Remote Similarity NPD6847 Approved
0.6357 Remote Similarity NPD6869 Approved
0.6357 Remote Similarity NPD6617 Approved
0.6339 Remote Similarity NPD7525 Registered
0.6339 Remote Similarity NPD6931 Approved
0.6339 Remote Similarity NPD6930 Phase 2
0.6333 Remote Similarity NPD7748 Approved
0.633 Remote Similarity NPD7339 Approved
0.633 Remote Similarity NPD6942 Approved
0.6328 Remote Similarity NPD6014 Approved
0.6328 Remote Similarity NPD6012 Approved
0.6328 Remote Similarity NPD6013 Approved
0.6324 Remote Similarity NPD7604 Phase 2
0.6311 Remote Similarity NPD7902 Approved
0.6303 Remote Similarity NPD8034 Phase 2
0.6303 Remote Similarity NPD8035 Phase 2
0.6299 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6296 Remote Similarity NPD5983 Phase 2
0.629 Remote Similarity NPD4159 Approved
0.6261 Remote Similarity NPD4786 Approved
0.625 Remote Similarity NPD6011 Approved
0.625 Remote Similarity NPD7645 Phase 2
0.624 Remote Similarity NPD5211 Phase 2
0.6239 Remote Similarity NPD4250 Approved
0.6239 Remote Similarity NPD4251 Approved
0.6232 Remote Similarity NPD6336 Discontinued
0.6231 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6218 Remote Similarity NPD46 Approved
0.6218 Remote Similarity NPD6698 Approved
0.6218 Remote Similarity NPD7838 Discovery
0.6216 Remote Similarity NPD5776 Phase 2
0.6216 Remote Similarity NPD6925 Approved
0.621 Remote Similarity NPD6648 Approved
0.6186 Remote Similarity NPD6903 Approved
0.6186 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6179 Remote Similarity NPD4755 Approved
0.6172 Remote Similarity NPD5954 Clinical (unspecified phase)
0.617 Remote Similarity NPD5956 Approved
0.6167 Remote Similarity NPD7515 Phase 2
0.6167 Remote Similarity NPD7087 Discontinued
0.6161 Remote Similarity NPD7145 Approved
0.6154 Remote Similarity NPD7521 Approved
0.6154 Remote Similarity NPD7334 Approved
0.6154 Remote Similarity NPD6409 Approved
0.6154 Remote Similarity NPD7146 Approved
0.6154 Remote Similarity NPD6684 Approved
0.6154 Remote Similarity NPD5330 Approved
0.6154 Remote Similarity NPD6371 Approved
0.6154 Remote Similarity NPD4634 Approved
0.6154 Remote Similarity NPD4249 Approved
0.6148 Remote Similarity NPD5695 Phase 3
0.6148 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6143 Remote Similarity NPD8336 Approved
0.6143 Remote Similarity NPD8337 Approved
0.6142 Remote Similarity NPD5141 Approved
0.6129 Remote Similarity NPD5696 Approved
0.6121 Remote Similarity NPD7799 Discontinued
0.6116 Remote Similarity NPD4202 Approved
0.6087 Remote Similarity NPD3667 Approved
0.608 Remote Similarity NPD4700 Approved
0.608 Remote Similarity NPD5286 Approved
0.608 Remote Similarity NPD5285 Approved
0.608 Remote Similarity NPD4696 Approved
0.6068 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6068 Remote Similarity NPD6893 Approved
0.6068 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6066 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6066 Remote Similarity NPD7900 Approved
0.6053 Remote Similarity NPD7514 Phase 3
0.6045 Remote Similarity NPD6274 Approved
0.6033 Remote Similarity NPD5693 Phase 1
0.6029 Remote Similarity NPD7101 Approved
0.6029 Remote Similarity NPD7100 Approved
0.6 Remote Similarity NPD4753 Phase 2
0.6 Remote Similarity NPD5328 Approved
0.6 Remote Similarity NPD6902 Approved
0.5984 Remote Similarity NPD5224 Approved
0.5984 Remote Similarity NPD4633 Approved
0.5984 Remote Similarity NPD5225 Approved
0.5984 Remote Similarity NPD5226 Approved
0.5983 Remote Similarity NPD3133 Approved
0.5983 Remote Similarity NPD3665 Phase 1
0.5983 Remote Similarity NPD3666 Approved
0.5982 Remote Similarity NPD6933 Approved
0.5972 Remote Similarity NPD8338 Approved
0.5969 Remote Similarity NPD6640 Phase 3
0.5969 Remote Similarity NPD4768 Approved
0.5969 Remote Similarity NPD4767 Approved
0.5968 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5956 Remote Similarity NPD6335 Approved
0.5946 Remote Similarity NPD4785 Approved
0.5946 Remote Similarity NPD4784 Approved
0.5942 Remote Similarity NPD6921 Approved
0.5942 Remote Similarity NPD6908 Approved
0.5942 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5942 Remote Similarity NPD6909 Approved
0.5938 Remote Similarity NPD5174 Approved
0.5938 Remote Similarity NPD5175 Approved
0.5929 Remote Similarity NPD6932 Approved
0.5917 Remote Similarity NPD5737 Approved
0.5917 Remote Similarity NPD6672 Approved
0.5913 Remote Similarity NPD7332 Phase 2
0.5913 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5909 Remote Similarity NPD4243 Approved
0.5906 Remote Similarity NPD5223 Approved
0.5903 Remote Similarity NPD7260 Phase 2
0.5902 Remote Similarity NPD7983 Approved

Structure

External Identifiers

PubChem CID   10930857
ChEMBL   CHEMBL447737
ZINC  

Physicochemical Properties

Molecular Weight:  822.40
ALogP:  -2.6314
MLogP:  4.32
XLogP:  1.219
# Rotatable Bonds:  20
Polar Surface Area:  229.36
# H-Bond Aceptor:  16
# H-Bond Donor:  6
# Rings:  8
# Heavy Atoms:  58

Download Data

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