Natural Product: NPC308522

Natural Product ID:  NPC308522
Common Name:   Suberosenol A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H24O
Standard InCHIKey:  PXTIGSAHLHFBJH-HZQNPPOTSA-N
Standard InCHI:  InChI=1S/C15H24O/c1-9-5-6-11-12-7-13(16)10(2)15(9,12)8-14(11,3)4/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,15+/m0/s1
Canonical SMILES:  O[C@H]1C[C@@H]2[C@]3(C1=C)CC([C@H]2CC[C@@H]3C)(C)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
NPO19653 Isis hippuris Species Isididae Eukaryota PMID[11141096]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens ED50 < 5 10'-6 ug/ml 20614907
NPT81 Cell Line A549 Homo sapiens ED50 = 5.1 ug/ml 16933872
NPT168 Cell Line P388 Mus musculus ED50 < 5 10'-6 ug/ml 21644529

  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 NPC308522 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 NPC74885
0.9194 High Similarity NPC147524
0.8551 High Similarity NPC164045
0.8451 Intermediate Similarity NPC313185
0.8429 Intermediate Similarity NPC472506
0.8333 Intermediate Similarity NPC219940
0.8333 Intermediate Similarity NPC68656
0.8209 Intermediate Similarity NPC300442
0.8194 Intermediate Similarity NPC185536
0.8169 Intermediate Similarity NPC234527
0.8169 Intermediate Similarity NPC14352
0.8143 Intermediate Similarity NPC133873
0.8088 Intermediate Similarity NPC475897
0.8082 Intermediate Similarity NPC247325
0.8082 Intermediate Similarity NPC244488
0.8082 Intermediate Similarity NPC38141
0.8056 Intermediate Similarity NPC309178
0.8056 Intermediate Similarity NPC476736
0.803 Intermediate Similarity NPC15152
0.8028 Intermediate Similarity NPC111234
0.7973 Intermediate Similarity NPC212241
0.7973 Intermediate Similarity NPC260301
0.7973 Intermediate Similarity NPC119355
0.7973 Intermediate Similarity NPC257191
0.7973 Intermediate Similarity NPC307336
0.7973 Intermediate Similarity NPC248830
0.7973 Intermediate Similarity NPC331618
0.7973 Intermediate Similarity NPC138502
0.7971 Intermediate Similarity NPC477791
0.7941 Intermediate Similarity NPC27243
0.7941 Intermediate Similarity NPC258595
0.7941 Intermediate Similarity NPC476737
0.7917 Intermediate Similarity NPC195489
0.7917 Intermediate Similarity NPC474140
0.7887 Intermediate Similarity NPC45296
0.7867 Intermediate Similarity NPC477514
0.7867 Intermediate Similarity NPC472501
0.7867 Intermediate Similarity NPC472500
0.7867 Intermediate Similarity NPC474216
0.7867 Intermediate Similarity NPC301707
0.7867 Intermediate Similarity NPC475
0.7867 Intermediate Similarity NPC472342
0.7867 Intermediate Similarity NPC472499
0.7867 Intermediate Similarity NPC472502
0.7857 Intermediate Similarity NPC245795
0.7857 Intermediate Similarity NPC276616
0.7857 Intermediate Similarity NPC160209
0.7826 Intermediate Similarity NPC162309
0.7808 Intermediate Similarity NPC469533
0.7808 Intermediate Similarity NPC25511
0.7808 Intermediate Similarity NPC192638
0.7808 Intermediate Similarity NPC5046
0.7808 Intermediate Similarity NPC475517
0.7808 Intermediate Similarity NPC469534
0.7808 Intermediate Similarity NPC62657
0.7808 Intermediate Similarity NPC474524
0.7808 Intermediate Similarity NPC469593
0.7808 Intermediate Similarity NPC196358
0.7808 Intermediate Similarity NPC254509
0.7808 Intermediate Similarity NPC145552
0.7808 Intermediate Similarity NPC49168
0.7794 Intermediate Similarity NPC309300
0.7794 Intermediate Similarity NPC101128
0.7763 Intermediate Similarity NPC47982
0.7763 Intermediate Similarity NPC84694
0.7763 Intermediate Similarity NPC143182
0.7763 Intermediate Similarity NPC5604
0.7763 Intermediate Similarity NPC30986
0.7763 Intermediate Similarity NPC476316
0.7763 Intermediate Similarity NPC81306
0.7763 Intermediate Similarity NPC28862
0.7763 Intermediate Similarity NPC24504
0.7763 Intermediate Similarity NPC209430
0.7763 Intermediate Similarity NPC109546
0.7746 Intermediate Similarity NPC474248
0.7703 Intermediate Similarity NPC3403
0.7703 Intermediate Similarity NPC322353
0.7703 Intermediate Similarity NPC162742
0.7703 Intermediate Similarity NPC304309
0.7703 Intermediate Similarity NPC118508
0.7703 Intermediate Similarity NPC134847
0.7703 Intermediate Similarity NPC230704
0.7703 Intermediate Similarity NPC231256
0.7703 Intermediate Similarity NPC212879
0.7703 Intermediate Similarity NPC200243
0.7703 Intermediate Similarity NPC121744
0.7703 Intermediate Similarity NPC141071
0.7703 Intermediate Similarity NPC285893
0.7703 Intermediate Similarity NPC104387
0.7703 Intermediate Similarity NPC257347
0.7703 Intermediate Similarity NPC240235
0.7703 Intermediate Similarity NPC136188
0.7703 Intermediate Similarity NPC288035
0.7703 Intermediate Similarity NPC28657
0.7703 Intermediate Similarity NPC70982
0.7703 Intermediate Similarity NPC471723
0.7703 Intermediate Similarity NPC22105
0.7703 Intermediate Similarity NPC178383
0.7703 Intermediate Similarity NPC230301
0.7692 Intermediate Similarity NPC29976
0.7692 Intermediate Similarity NPC150713
0.7681 Intermediate Similarity NPC282619
0.7681 Intermediate Similarity NPC208198
0.7681 Intermediate Similarity NPC11555
0.7681 Intermediate Similarity NPC238352
0.7681 Intermediate Similarity NPC60837
0.7681 Intermediate Similarity NPC2728
0.7681 Intermediate Similarity NPC172613
0.7681 Intermediate Similarity NPC477009
0.7662 Intermediate Similarity NPC209944
0.7662 Intermediate Similarity NPC241290
0.7662 Intermediate Similarity NPC164840
0.7662 Intermediate Similarity NPC234193
0.7662 Intermediate Similarity NPC47149
0.7639 Intermediate Similarity NPC34834
0.7639 Intermediate Similarity NPC254845
0.7639 Intermediate Similarity NPC283316
0.7632 Intermediate Similarity NPC42853
0.7632 Intermediate Similarity NPC473943
0.7632 Intermediate Similarity NPC477522
0.7632 Intermediate Similarity NPC477819
0.7632 Intermediate Similarity NPC477817
0.7612 Intermediate Similarity NPC234264
0.7612 Intermediate Similarity NPC47840
0.7606 Intermediate Similarity NPC167527
0.7606 Intermediate Similarity NPC96484
0.76 Intermediate Similarity NPC240604
0.76 Intermediate Similarity NPC310643
0.76 Intermediate Similarity NPC73875
0.76 Intermediate Similarity NPC78067
0.76 Intermediate Similarity NPC107059
0.76 Intermediate Similarity NPC278091
0.76 Intermediate Similarity NPC321381
0.76 Intermediate Similarity NPC113733
0.76 Intermediate Similarity NPC96319
0.76 Intermediate Similarity NPC86305
0.76 Intermediate Similarity NPC472472
0.76 Intermediate Similarity NPC129165
0.76 Intermediate Similarity NPC93662
0.76 Intermediate Similarity NPC46160
0.76 Intermediate Similarity NPC189883
0.76 Intermediate Similarity NPC14112
0.76 Intermediate Similarity NPC300324
0.76 Intermediate Similarity NPC237460
0.76 Intermediate Similarity NPC134330
0.76 Intermediate Similarity NPC470362
0.76 Intermediate Similarity NPC91573
0.76 Intermediate Similarity NPC321016
0.76 Intermediate Similarity NPC202642
0.7571 Intermediate Similarity NPC202017
0.7571 Intermediate Similarity NPC473929
0.7571 Intermediate Similarity NPC476406
0.7568 Intermediate Similarity NPC308440
0.7568 Intermediate Similarity NPC472503
0.7564 Intermediate Similarity NPC23852
0.7564 Intermediate Similarity NPC157655
0.7564 Intermediate Similarity NPC209620
0.7564 Intermediate Similarity NPC264245
0.7538 Intermediate Similarity NPC39068
0.7538 Intermediate Similarity NPC264779
0.7536 Intermediate Similarity NPC475704
0.7536 Intermediate Similarity NPC144650
0.7536 Intermediate Similarity NPC323424
0.7536 Intermediate Similarity NPC96793
0.7532 Intermediate Similarity NPC49599
0.7532 Intermediate Similarity NPC1319
0.7532 Intermediate Similarity NPC49627
0.75 Intermediate Similarity NPC242016
0.75 Intermediate Similarity NPC198968
0.75 Intermediate Similarity NPC318495
0.75 Intermediate Similarity NPC202540
0.75 Intermediate Similarity NPC214570
0.75 Intermediate Similarity NPC155986
0.75 Intermediate Similarity NPC9942
0.75 Intermediate Similarity NPC34019
0.7468 Intermediate Similarity NPC101462
0.7468 Intermediate Similarity NPC87489
0.7468 Intermediate Similarity NPC145143
0.7468 Intermediate Similarity NPC189972
0.7468 Intermediate Similarity NPC50964
0.7468 Intermediate Similarity NPC477858
0.7468 Intermediate Similarity NPC296701
0.7468 Intermediate Similarity NPC218616
0.7468 Intermediate Similarity NPC170985
0.7468 Intermediate Similarity NPC202389
0.7468 Intermediate Similarity NPC49964
0.7468 Intermediate Similarity NPC46881
0.7467 Intermediate Similarity NPC103822
0.7465 Intermediate Similarity NPC171225
0.7465 Intermediate Similarity NPC185874
0.7465 Intermediate Similarity NPC269077
0.7465 Intermediate Similarity NPC136813
0.7465 Intermediate Similarity NPC253303
0.7465 Intermediate Similarity NPC114651
0.7465 Intermediate Similarity NPC139207
0.7463 Intermediate Similarity NPC309825
0.7436 Intermediate Similarity NPC71535
0.7436 Intermediate Similarity NPC78545
0.7436 Intermediate Similarity NPC26117
0.7432 Intermediate Similarity NPC201373

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC308522 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
0.7703 Intermediate Similarity NPD6942 Approved
0.7703 Intermediate Similarity NPD7339 Approved
0.76 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6924 Approved
0.7333 Intermediate Similarity NPD6926 Approved
0.7308 Intermediate Similarity NPD6929 Approved
0.7297 Intermediate Similarity NPD4243 Approved
0.726 Intermediate Similarity NPD6923 Approved
0.726 Intermediate Similarity NPD6922 Approved
0.7229 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD6931 Approved
0.7215 Intermediate Similarity NPD6930 Phase 2
0.7215 Intermediate Similarity NPD7525 Registered
0.7162 Intermediate Similarity NPD7144 Approved
0.7162 Intermediate Similarity NPD7143 Approved
0.7143 Intermediate Similarity NPD6933 Approved
0.7105 Intermediate Similarity NPD4785 Approved
0.7105 Intermediate Similarity NPD4784 Approved
0.7067 Intermediate Similarity NPD7151 Approved
0.7067 Intermediate Similarity NPD7152 Approved
0.7067 Intermediate Similarity NPD7150 Approved
0.7051 Intermediate Similarity NPD6925 Approved
0.7051 Intermediate Similarity NPD5776 Phase 2
0.7013 Intermediate Similarity NPD5275 Approved
0.7013 Intermediate Similarity NPD4190 Phase 3
0.7 Intermediate Similarity NPD4748 Discontinued
0.6962 Remote Similarity NPD7145 Approved
0.6951 Remote Similarity NPD4788 Approved
0.6951 Remote Similarity NPD6695 Phase 3
0.6867 Remote Similarity NPD3665 Phase 1
0.6867 Remote Similarity NPD3133 Approved
0.6867 Remote Similarity NPD3666 Approved
0.6867 Remote Similarity NPD4786 Approved
0.6867 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6829 Remote Similarity NPD3667 Approved
0.679 Remote Similarity NPD7514 Phase 3
0.6786 Remote Similarity NPD6893 Approved
0.6786 Remote Similarity NPD7520 Clinical (unspecified phase)
0.675 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6707 Remote Similarity NPD6902 Approved
0.6667 Remote Similarity NPD4195 Approved
0.6628 Remote Similarity NPD7524 Approved
0.6628 Remote Similarity NPD7750 Discontinued
0.6625 Remote Similarity NPD6932 Approved
0.6618 Remote Similarity NPD342 Phase 1
0.6585 Remote Similarity NPD7509 Discontinued
0.6585 Remote Similarity NPD7332 Phase 2
0.6528 Remote Similarity NPD368 Approved
0.6512 Remote Similarity NPD3618 Phase 1
0.6512 Remote Similarity NPD5279 Phase 3
0.6506 Remote Similarity NPD6898 Phase 1
0.6494 Remote Similarity NPD4787 Phase 1
0.6486 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6477 Remote Similarity NPD4753 Phase 2
0.6477 Remote Similarity NPD5328 Approved
0.6463 Remote Similarity NPD6683 Phase 2
0.6463 Remote Similarity NPD7645 Phase 2
0.6444 Remote Similarity NPD4202 Approved
0.6429 Remote Similarity NPD4221 Approved
0.6429 Remote Similarity NPD4223 Phase 3
0.6406 Remote Similarity NPD384 Approved
0.6406 Remote Similarity NPD385 Approved
0.6375 Remote Similarity NPD8264 Approved
0.6364 Remote Similarity NPD3698 Phase 2
0.6364 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6353 Remote Similarity NPD5332 Approved
0.6353 Remote Similarity NPD5331 Approved
0.6333 Remote Similarity NPD7087 Discontinued
0.6333 Remote Similarity NPD6079 Approved
0.631 Remote Similarity NPD4790 Discontinued
0.6282 Remote Similarity NPD4245 Approved
0.6282 Remote Similarity NPD4244 Approved
0.6279 Remote Similarity NPD4197 Approved
0.625 Remote Similarity NPD5211 Phase 2
0.6211 Remote Similarity NPD7639 Approved
0.6211 Remote Similarity NPD7640 Approved
0.6207 Remote Similarity NPD5329 Approved
0.6203 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6203 Remote Similarity NPD4808 Clinical (unspecified phase)
0.618 Remote Similarity NPD6903 Approved
0.617 Remote Similarity NPD4755 Approved
0.6163 Remote Similarity NPD5362 Discontinued
0.6154 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6154 Remote Similarity NPD8034 Phase 2
0.6154 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6154 Remote Similarity NPD8035 Phase 2
0.6145 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6136 Remote Similarity NPD4694 Approved
0.6136 Remote Similarity NPD5280 Approved
0.6136 Remote Similarity NPD4693 Phase 3
0.6136 Remote Similarity NPD4138 Approved
0.6136 Remote Similarity NPD4689 Approved
0.6136 Remote Similarity NPD5690 Phase 2
0.6136 Remote Similarity NPD5205 Approved
0.6136 Remote Similarity NPD4690 Approved
0.6136 Remote Similarity NPD4688 Approved
0.6129 Remote Similarity NPD5210 Approved
0.6129 Remote Similarity NPD4629 Approved
0.6122 Remote Similarity NPD5141 Approved
0.6118 Remote Similarity NPD4692 Approved
0.6118 Remote Similarity NPD4139 Approved
0.6111 Remote Similarity NPD6051 Approved
0.6105 Remote Similarity NPD7638 Approved
0.6092 Remote Similarity NPD3668 Phase 3
0.6087 Remote Similarity NPD6399 Phase 3
0.6076 Remote Similarity NPD4789 Approved
0.6064 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6064 Remote Similarity NPD5222 Approved
0.6064 Remote Similarity NPD5221 Approved
0.6064 Remote Similarity NPD4697 Phase 3
0.6049 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6042 Remote Similarity NPD4700 Approved
0.6042 Remote Similarity NPD4696 Approved
0.6042 Remote Similarity NPD5285 Approved
0.6042 Remote Similarity NPD5286 Approved
0.6026 Remote Similarity NPD6705 Phase 1
0.6023 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6 Remote Similarity NPD6928 Phase 2
0.6 Remote Similarity NPD4723 Approved
0.6 Remote Similarity NPD5173 Approved
0.6 Remote Similarity NPD6083 Phase 2
0.6 Remote Similarity NPD4722 Approved
0.6 Remote Similarity NPD6084 Phase 2
0.5979 Remote Similarity NPD5223 Approved
0.5978 Remote Similarity NPD7637 Suspended
0.5957 Remote Similarity NPD5695 Phase 3
0.5955 Remote Similarity NPD6409 Approved
0.5955 Remote Similarity NPD7334 Approved
0.5955 Remote Similarity NPD5330 Approved
0.5955 Remote Similarity NPD6684 Approved
0.5955 Remote Similarity NPD7146 Approved
0.5955 Remote Similarity NPD7521 Approved
0.5952 Remote Similarity NPD3617 Approved
0.5946 Remote Similarity NPD1145 Discontinued
0.5941 Remote Similarity NPD7320 Approved
0.5918 Remote Similarity NPD5225 Approved
0.5918 Remote Similarity NPD4633 Approved
0.5918 Remote Similarity NPD5226 Approved
0.5918 Remote Similarity NPD5224 Approved
0.5904 Remote Similarity NPD6117 Approved
0.587 Remote Similarity NPD7136 Phase 2
0.5859 Remote Similarity NPD5174 Approved
0.5859 Remote Similarity NPD4754 Approved
0.5859 Remote Similarity NPD5175 Approved
0.5833 Remote Similarity NPD4219 Approved
0.5833 Remote Similarity NPD6116 Phase 1
0.5824 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5814 Remote Similarity NPD4822 Approved
0.5814 Remote Similarity NPD4821 Approved
0.5814 Remote Similarity NPD4820 Approved
0.5814 Remote Similarity NPD4819 Approved
0.5806 Remote Similarity NPD5281 Approved
0.5806 Remote Similarity NPD5284 Approved
0.5783 Remote Similarity NPD3702 Approved
0.5783 Remote Similarity NPD3703 Phase 2
0.5781 Remote Similarity NPD1799 Clinical (unspecified phase)
0.5778 Remote Similarity NPD4519 Discontinued
0.5778 Remote Similarity NPD4623 Approved
0.5773 Remote Similarity NPD5290 Discontinued
0.5773 Remote Similarity NPD5696 Approved
0.5765 Remote Similarity NPD4271 Approved
0.5765 Remote Similarity NPD6118 Approved
0.5765 Remote Similarity NPD4268 Approved
0.5765 Remote Similarity NPD6114 Approved
0.5765 Remote Similarity NPD6697 Approved
0.5765 Remote Similarity NPD6115 Approved
0.5758 Remote Similarity NPD7632 Discontinued
0.5743 Remote Similarity NPD6675 Approved
0.5743 Remote Similarity NPD4768 Approved
0.5743 Remote Similarity NPD5739 Approved
0.5743 Remote Similarity NPD4767 Approved
0.5743 Remote Similarity NPD6402 Approved
0.5743 Remote Similarity NPD7128 Approved
0.5699 Remote Similarity NPD4096 Approved
0.5686 Remote Similarity NPD5701 Approved
0.5686 Remote Similarity NPD5697 Approved
0.5682 Remote Similarity NPD4269 Approved
0.5682 Remote Similarity NPD4270 Approved
0.5667 Remote Similarity NPD1696 Phase 3
0.5657 Remote Similarity NPD4159 Approved
0.5652 Remote Similarity NPD5737 Approved
0.5652 Remote Similarity NPD6672 Approved
0.5638 Remote Similarity NPD7515 Phase 2
0.5632 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5631 Remote Similarity NPD6899 Approved
0.5631 Remote Similarity NPD6011 Approved
0.5631 Remote Similarity NPD4729 Approved
0.5631 Remote Similarity NPD4730 Approved
0.5631 Remote Similarity NPD6881 Approved
0.5631 Remote Similarity NPD5128 Approved
0.5625 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5625 Remote Similarity NPD5360 Phase 3
0.5616 Remote Similarity NPD586 Phase 1
0.5612 Remote Similarity NPD4225 Approved
0.5604 Remote Similarity NPD6098 Approved
0.5604 Remote Similarity NPD3574 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10353422
ChEMBL   CHEMBL470862
ZINC  

Physicochemical Properties

Molecular Weight:  220.18
ALogP:  1.8334
MLogP:  3
XLogP:  4.418
# Rotatable Bonds:  4
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  16

Download Data

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