Natural Product: NPC477264

Natural Product ID:  NPC477264
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C21H30O6
Standard InCHIKey:  HJQRCWZAKDUEPB-QJOLDWKOSA-N
Standard InCHI:  InChI=1S/C21H30O6/c1-18(10-22)7-4-8-19(2)12(5-3-6-13(18)19)9-20-14(24)17-21(11-23,27-17)15(25)16(20)26-20/h12-13,16-17,22-23H,3-11H2,1-2H3/t12-,13+,16-,17-,18+,19-,20+,21+/m1/s1
Canonical SMILES:  OC[C@@]12O[C@@H]1C(=O)[C@]1([C@@H](C2=O)O1)C[C@H]1CCC[C@@H]2[C@]1(C)CCC[C@@]2(C)CO
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
NPO33612 Hymenopsis sp. Species Eukaryota a Eucalyptus forest planting near Honoka'a Hamakua District, Hawaii Co., HI PMID[19928955]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 32 mm 19928955
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 32 mm 19928955
NPT185 Organism Aspergillus flavus Aspergillus flavus IZ = 20 mm 19928955
NPT2781 Organism Fusarium moniliforme Gibberella moniliformis IZ = 20 mm 19928955

  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 NPC477264 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
0.8778 High Similarity NPC474215
0.8778 High Similarity NPC475729
0.8764 High Similarity NPC475689
0.8438 Intermediate Similarity NPC17336
0.8381 Intermediate Similarity NPC477266
0.8367 Intermediate Similarity NPC476294
0.8242 Intermediate Similarity NPC227170
0.8202 Intermediate Similarity NPC275243
0.8191 Intermediate Similarity NPC226491
0.8191 Intermediate Similarity NPC476379
0.8191 Intermediate Similarity NPC477614
0.809 Intermediate Similarity NPC475725
0.8061 Intermediate Similarity NPC287354
0.8061 Intermediate Similarity NPC62407
0.8041 Intermediate Similarity NPC474379
0.8021 Intermediate Similarity NPC477433
0.8021 Intermediate Similarity NPC477442
0.8021 Intermediate Similarity NPC477444
0.7959 Intermediate Similarity NPC247877
0.7959 Intermediate Similarity NPC309127
0.7938 Intermediate Similarity NPC216137
0.7917 Intermediate Similarity NPC61688
0.7917 Intermediate Similarity NPC477443
0.7917 Intermediate Similarity NPC477440
0.7895 Intermediate Similarity NPC263802
0.7895 Intermediate Similarity NPC202937
0.7895 Intermediate Similarity NPC470920
0.7812 Intermediate Similarity NPC236459
0.78 Intermediate Similarity NPC163685
0.78 Intermediate Similarity NPC235109
0.7789 Intermediate Similarity NPC83242
0.7767 Intermediate Similarity NPC471254
0.7766 Intermediate Similarity NPC50438
0.7757 Intermediate Similarity NPC100908
0.7736 Intermediate Similarity NPC289702
0.7736 Intermediate Similarity NPC208461
0.7732 Intermediate Similarity NPC67653
0.7732 Intermediate Similarity NPC471459
0.7706 Intermediate Similarity NPC97002
0.77 Intermediate Similarity NPC82633
0.7692 Intermediate Similarity NPC34562
0.7684 Intermediate Similarity NPC477205
0.7653 Intermediate Similarity NPC475211
0.7653 Intermediate Similarity NPC88337
0.7653 Intermediate Similarity NPC476296
0.7647 Intermediate Similarity NPC253995
0.7629 Intermediate Similarity NPC3032
0.7629 Intermediate Similarity NPC131104
0.7629 Intermediate Similarity NPC471221
0.7629 Intermediate Similarity NPC473319
0.7624 Intermediate Similarity NPC116683
0.7604 Intermediate Similarity NPC120395
0.7604 Intermediate Similarity NPC80700
0.7604 Intermediate Similarity NPC248216
0.7604 Intermediate Similarity NPC476726
0.7604 Intermediate Similarity NPC476727
0.7604 Intermediate Similarity NPC477441
0.76 Intermediate Similarity NPC477495
0.7589 Intermediate Similarity NPC240509
0.7579 Intermediate Similarity NPC219535
0.7579 Intermediate Similarity NPC477434
0.7579 Intermediate Similarity NPC237938
0.7551 Intermediate Similarity NPC56962
0.7551 Intermediate Similarity NPC24705
0.7549 Intermediate Similarity NPC111187
0.7549 Intermediate Similarity NPC190080
0.7547 Intermediate Similarity NPC470587
0.7525 Intermediate Similarity NPC470031
0.7524 Intermediate Similarity NPC471253
0.7523 Intermediate Similarity NPC473062
0.75 Intermediate Similarity NPC16657
0.75 Intermediate Similarity NPC477445
0.75 Intermediate Similarity NPC204652
0.75 Intermediate Similarity NPC473350
0.75 Intermediate Similarity NPC476189
0.75 Intermediate Similarity NPC298266
0.75 Intermediate Similarity NPC478084
0.75 Intermediate Similarity NPC259654
0.7477 Intermediate Similarity NPC470115
0.7477 Intermediate Similarity NPC80650
0.7477 Intermediate Similarity NPC201908
0.7477 Intermediate Similarity NPC470116
0.7477 Intermediate Similarity NPC176949
0.7474 Intermediate Similarity NPC269684
0.7451 Intermediate Similarity NPC260223
0.7451 Intermediate Similarity NPC476728
0.7449 Intermediate Similarity NPC476435
0.7436 Intermediate Similarity NPC225049
0.7429 Intermediate Similarity NPC478176
0.7426 Intermediate Similarity NPC76136
0.7426 Intermediate Similarity NPC329713
0.7426 Intermediate Similarity NPC217567
0.7423 Intermediate Similarity NPC472745
0.7411 Intermediate Similarity NPC475490
0.7407 Intermediate Similarity NPC153587
0.7396 Intermediate Similarity NPC25037
0.7396 Intermediate Similarity NPC34984
0.7396 Intermediate Similarity NPC105895
0.7387 Intermediate Similarity NPC33360
0.7379 Intermediate Similarity NPC236176
0.7379 Intermediate Similarity NPC470632
0.7368 Intermediate Similarity NPC271163
0.7364 Intermediate Similarity NPC157476
0.7364 Intermediate Similarity NPC476023
0.7358 Intermediate Similarity NPC473406
0.7358 Intermediate Similarity NPC107385
0.7345 Intermediate Similarity NPC146432
0.7345 Intermediate Similarity NPC470778
0.7339 Intermediate Similarity NPC208333
0.7339 Intermediate Similarity NPC87335
0.7339 Intermediate Similarity NPC227879
0.7333 Intermediate Similarity NPC178853
0.7321 Intermediate Similarity NPC323821
0.7321 Intermediate Similarity NPC143268
0.7321 Intermediate Similarity NPC268238
0.7321 Intermediate Similarity NPC299849
0.7321 Intermediate Similarity NPC45218
0.7315 Intermediate Similarity NPC203974
0.7315 Intermediate Similarity NPC473165
0.7315 Intermediate Similarity NPC166993
0.7308 Intermediate Similarity NPC477653
0.7308 Intermediate Similarity NPC474724
0.7308 Intermediate Similarity NPC472144
0.73 Intermediate Similarity NPC185529
0.73 Intermediate Similarity NPC472146
0.73 Intermediate Similarity NPC470114
0.7297 Intermediate Similarity NPC477492
0.7297 Intermediate Similarity NPC477489
0.7292 Intermediate Similarity NPC292458
0.7292 Intermediate Similarity NPC217559
0.7292 Intermediate Similarity NPC15091
0.7292 Intermediate Similarity NPC327451
0.7292 Intermediate Similarity NPC268578
0.729 Intermediate Similarity NPC470167
0.729 Intermediate Similarity NPC88469
0.7282 Intermediate Similarity NPC475785
0.7273 Intermediate Similarity NPC90676
0.7273 Intermediate Similarity NPC163296
0.7264 Intermediate Similarity NPC470172
0.7264 Intermediate Similarity NPC80640
0.7263 Intermediate Similarity NPC328639
0.7263 Intermediate Similarity NPC329490
0.7257 Intermediate Similarity NPC207217
0.7257 Intermediate Similarity NPC16081
0.7257 Intermediate Similarity NPC89929
0.7257 Intermediate Similarity NPC173686
0.7257 Intermediate Similarity NPC213084
0.7257 Intermediate Similarity NPC190185
0.7255 Intermediate Similarity NPC470423
0.7248 Intermediate Similarity NPC273155
0.7248 Intermediate Similarity NPC231278
0.7248 Intermediate Similarity NPC112895
0.7248 Intermediate Similarity NPC218123
0.7245 Intermediate Similarity NPC302111
0.7245 Intermediate Similarity NPC476717
0.7241 Intermediate Similarity NPC102822
0.7241 Intermediate Similarity NPC477046
0.7238 Intermediate Similarity NPC477656
0.7238 Intermediate Similarity NPC127408
0.7238 Intermediate Similarity NPC80417
0.7238 Intermediate Similarity NPC291785
0.7238 Intermediate Similarity NPC477655
0.7232 Intermediate Similarity NPC94509
0.7232 Intermediate Similarity NPC208998
0.7232 Intermediate Similarity NPC198539
0.7232 Intermediate Similarity NPC7921
0.7228 Intermediate Similarity NPC474699
0.7222 Intermediate Similarity NPC222833
0.7222 Intermediate Similarity NPC138908
0.7222 Intermediate Similarity NPC200957
0.7216 Intermediate Similarity NPC9060
0.7216 Intermediate Similarity NPC473299
0.7216 Intermediate Similarity NPC471044
0.7216 Intermediate Similarity NPC181871
0.7216 Intermediate Similarity NPC65133
0.7216 Intermediate Similarity NPC473336
0.7212 Intermediate Similarity NPC471241
0.7212 Intermediate Similarity NPC74466
0.7212 Intermediate Similarity NPC170978
0.7212 Intermediate Similarity NPC472145
0.7212 Intermediate Similarity NPC272451
0.7207 Intermediate Similarity NPC171888
0.7207 Intermediate Similarity NPC146945
0.72 Intermediate Similarity NPC200580
0.7196 Intermediate Similarity NPC277074
0.7196 Intermediate Similarity NPC209298
0.7193 Intermediate Similarity NPC122033
0.7193 Intermediate Similarity NPC97908
0.7193 Intermediate Similarity NPC58662
0.7193 Intermediate Similarity NPC474654
0.7193 Intermediate Similarity NPC287343
0.7193 Intermediate Similarity NPC470854
0.7188 Intermediate Similarity NPC317066
0.7184 Intermediate Similarity NPC41070
0.7182 Intermediate Similarity NPC236753
0.7182 Intermediate Similarity NPC321661
0.7182 Intermediate Similarity NPC87393
0.7182 Intermediate Similarity NPC320475
0.7182 Intermediate Similarity NPC228190
0.7174 Intermediate Similarity NPC472950

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477264 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
0.7736 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1700 Approved
0.7174 Intermediate Similarity NPD3703 Phase 2
0.7027 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.6964 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6949 Remote Similarity NPD6921 Approved
0.6897 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6723 Remote Similarity NPD6319 Approved
0.6696 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6694 Remote Similarity NPD8328 Phase 3
0.6667 Remote Similarity NPD8170 Clinical (unspecified phase)
0.663 Remote Similarity NPD3700 Clinical (unspecified phase)
0.663 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6598 Remote Similarity NPD6118 Approved
0.6598 Remote Similarity NPD6114 Approved
0.6598 Remote Similarity NPD6697 Approved
0.6598 Remote Similarity NPD6115 Approved
0.6583 Remote Similarity NPD6059 Approved
0.6583 Remote Similarity NPD6054 Approved
0.6529 Remote Similarity NPD6015 Approved
0.6529 Remote Similarity NPD6016 Approved
0.6522 Remote Similarity NPD4634 Approved
0.6495 Remote Similarity NPD6116 Phase 1
0.6489 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6489 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6475 Remote Similarity NPD6370 Approved
0.6475 Remote Similarity NPD5988 Approved
0.6435 Remote Similarity NPD6373 Approved
0.6435 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6435 Remote Similarity NPD6372 Approved
0.6392 Remote Similarity NPD6117 Approved
0.6383 Remote Similarity NPD4789 Approved
0.6371 Remote Similarity NPD7492 Approved
0.6356 Remote Similarity NPD4632 Approved
0.6349 Remote Similarity NPD7736 Approved
0.6325 Remote Similarity NPD6649 Approved
0.6325 Remote Similarity NPD6650 Approved
0.632 Remote Similarity NPD6616 Approved
0.6316 Remote Similarity NPD6675 Approved
0.6316 Remote Similarity NPD5739 Approved
0.6316 Remote Similarity NPD6402 Approved
0.6316 Remote Similarity NPD7128 Approved
0.6277 Remote Similarity NPD3698 Phase 2
0.6277 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6273 Remote Similarity NPD4755 Approved
0.6271 Remote Similarity NPD8297 Approved
0.627 Remote Similarity NPD7078 Approved
0.627 Remote Similarity NPD8293 Discontinued
0.6264 Remote Similarity NPD371 Approved
0.6261 Remote Similarity NPD5697 Approved
0.6261 Remote Similarity NPD5701 Approved
0.6211 Remote Similarity NPD4244 Approved
0.6211 Remote Similarity NPD4245 Approved
0.6207 Remote Similarity NPD6881 Approved
0.6207 Remote Similarity NPD7320 Approved
0.6207 Remote Similarity NPD6899 Approved
0.6198 Remote Similarity NPD6009 Approved
0.6186 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6182 Remote Similarity NPD4697 Phase 3
0.617 Remote Similarity NPD5361 Clinical (unspecified phase)
0.617 Remote Similarity NPD5360 Phase 3
0.6161 Remote Similarity NPD5286 Approved
0.6161 Remote Similarity NPD4700 Approved
0.6161 Remote Similarity NPD4696 Approved
0.6161 Remote Similarity NPD5285 Approved
0.616 Remote Similarity NPD7604 Phase 2
0.6154 Remote Similarity NPD6012 Approved
0.6154 Remote Similarity NPD6013 Approved
0.6154 Remote Similarity NPD6014 Approved
0.6129 Remote Similarity NPD5983 Phase 2
0.6117 Remote Similarity NPD3669 Approved
0.6117 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6111 Remote Similarity NPD8035 Phase 2
0.6111 Remote Similarity NPD8034 Phase 2
0.6102 Remote Similarity NPD7290 Approved
0.6102 Remote Similarity NPD6883 Approved
0.6102 Remote Similarity NPD7102 Approved
0.61 Remote Similarity NPD3671 Phase 1
0.6094 Remote Similarity NPD6033 Approved
0.6078 Remote Similarity NPD1780 Approved
0.6078 Remote Similarity NPD1779 Approved
0.6068 Remote Similarity NPD6011 Approved
0.6066 Remote Similarity NPD7115 Discovery
0.6053 Remote Similarity NPD5211 Phase 2
0.6053 Remote Similarity NPD5225 Approved
0.6053 Remote Similarity NPD5226 Approved
0.6053 Remote Similarity NPD4633 Approved
0.6053 Remote Similarity NPD5224 Approved
0.605 Remote Similarity NPD6847 Approved
0.605 Remote Similarity NPD8130 Phase 1
0.605 Remote Similarity NPD6869 Approved
0.605 Remote Similarity NPD6617 Approved
0.6047 Remote Similarity NPD7319 Approved
0.6034 Remote Similarity NPD6008 Approved
0.6022 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6 Remote Similarity NPD5175 Approved
0.6 Remote Similarity NPD6882 Approved
0.6 Remote Similarity NPD5174 Approved
0.5982 Remote Similarity NPD7902 Approved
0.5979 Remote Similarity NPD4758 Discontinued
0.5965 Remote Similarity NPD5223 Approved
0.596 Remote Similarity NPD3702 Approved
0.595 Remote Similarity NPD8133 Approved
0.5948 Remote Similarity NPD5141 Approved
0.5948 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5948 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5938 Remote Similarity NPD6336 Discontinued
0.5917 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5897 Remote Similarity NPD4768 Approved
0.5897 Remote Similarity NPD4767 Approved
0.5893 Remote Similarity NPD5222 Approved
0.5893 Remote Similarity NPD5221 Approved
0.5893 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5876 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5862 Remote Similarity NPD4754 Approved
0.5854 Remote Similarity NPD6274 Approved
0.5847 Remote Similarity NPD6412 Phase 2
0.5841 Remote Similarity NPD5173 Approved
0.5816 Remote Similarity NPD5777 Approved
0.5814 Remote Similarity NPD7507 Approved
0.5798 Remote Similarity NPD4730 Approved
0.5798 Remote Similarity NPD4729 Approved
0.5798 Remote Similarity NPD5128 Approved
0.5794 Remote Similarity NPD3618 Phase 1
0.5789 Remote Similarity NPD4224 Phase 2
0.5784 Remote Similarity NPD5364 Discontinued
0.578 Remote Similarity NPD5328 Approved
0.5766 Remote Similarity NPD6399 Phase 3
0.5766 Remote Similarity NPD8171 Discontinued
0.5726 Remote Similarity NPD6940 Discontinued
0.5714 Remote Similarity NPD7101 Approved
0.5714 Remote Similarity NPD5282 Discontinued
0.5714 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7748 Approved
0.5714 Remote Similarity NPD7900 Approved
0.5714 Remote Similarity NPD7100 Approved
0.5702 Remote Similarity NPD5250 Approved
0.5702 Remote Similarity NPD5247 Approved
0.5702 Remote Similarity NPD5251 Approved
0.5702 Remote Similarity NPD6084 Phase 2
0.5702 Remote Similarity NPD5248 Approved
0.5702 Remote Similarity NPD5249 Phase 3
0.5702 Remote Similarity NPD6083 Phase 2
0.5701 Remote Similarity NPD7520 Clinical (unspecified phase)
0.57 Remote Similarity NPD1810 Approved
0.57 Remote Similarity NPD1811 Approved
0.569 Remote Similarity NPD5344 Discontinued
0.568 Remote Similarity NPD6317 Approved
0.5676 Remote Similarity NPD7515 Phase 2
0.5676 Remote Similarity NPD6079 Approved
0.5673 Remote Similarity NPD6928 Phase 2
0.5657 Remote Similarity NPD6081 Approved
0.5656 Remote Similarity NPD5215 Approved
0.5656 Remote Similarity NPD5217 Approved
0.5656 Remote Similarity NPD5216 Approved
0.5652 Remote Similarity NPD7638 Approved
0.5652 Remote Similarity NPD4225 Approved
0.5652 Remote Similarity NPD5696 Approved
0.5648 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5641 Remote Similarity NPD8139 Approved
0.5641 Remote Similarity NPD8083 Approved
0.5641 Remote Similarity NPD8082 Approved
0.5641 Remote Similarity NPD8086 Approved
0.5641 Remote Similarity NPD8085 Approved
0.5641 Remote Similarity NPD8138 Approved
0.5641 Remote Similarity NPD8084 Approved
0.5636 Remote Similarity NPD4753 Phase 2
0.5635 Remote Similarity NPD6314 Approved
0.5635 Remote Similarity NPD6313 Approved
0.5635 Remote Similarity NPD6335 Approved
0.563 Remote Similarity NPD8393 Approved
0.5625 Remote Similarity NPD4202 Approved
0.5625 Remote Similarity NPD6908 Approved
0.5625 Remote Similarity NPD6909 Approved
0.5603 Remote Similarity NPD7640 Approved
0.5603 Remote Similarity NPD7639 Approved

Structure

External Identifiers

PubChem CID   46881258
ChEMBL   CHEMBL1087541
ZINC  

Physicochemical Properties

Molecular Weight:  378.20
ALogP:  -2.3874
MLogP:  3.11
XLogP:  1.916
# Rotatable Bonds:  8
Polar Surface Area:  99.66
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  27

Download Data

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