Natural Product: NPC185536

Natural Product ID:  NPC185536
Common Name:   Dammara-20,25-Dien-3Beta,24-Diol
IUPAC Name:   (3S,5R,8R,9R,10R,13R,14R,17S)-17-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:  
Molecular Formula:   C30H50O2
Standard InCHIKey:  WXSZYFSBLQQISH-CZSACIGHSA-N
Standard InCHI:  InChI=1S/C30H50O2/c1-19(2)23(31)11-9-20(3)21-13-17-29(7)22(21)10-12-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h21-26,31-32H,1,3,9-18H2,2,4-8H3/t21-,22-,23+,24+,25-,26+,28+,29-,30-/m1/s1
Canonical SMILES:  CC(=C)[C@H](CCC(=C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)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
NPO2717 Vatica cinerea Species Dipterocarpaceae Eukaryota PMID[12608862]

  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 IC50 = 6100 nM 20155971
NPT2 Others Unspecified Ratio CC50/IC50 = 2.3 12213071

  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 NPC185536 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
0.9718 High Similarity NPC331618
0.9718 High Similarity NPC248830
0.9718 High Similarity NPC212241
0.9718 High Similarity NPC257191
0.9718 High Similarity NPC119355
0.9583 High Similarity NPC472342
0.9583 High Similarity NPC301707
0.9565 High Similarity NPC111234
0.9444 High Similarity NPC260301
0.9444 High Similarity NPC138502
0.9444 High Similarity NPC307336
0.9437 High Similarity NPC212879
0.9437 High Similarity NPC178383
0.9437 High Similarity NPC231256
0.9437 High Similarity NPC230704
0.9437 High Similarity NPC104387
0.9437 High Similarity NPC3403
0.9437 High Similarity NPC70982
0.9437 High Similarity NPC240235
0.942 High Similarity NPC45296
0.9315 High Similarity NPC472499
0.9315 High Similarity NPC472500
0.9315 High Similarity NPC472501
0.9306 High Similarity NPC86305
0.9306 High Similarity NPC93662
0.9306 High Similarity NPC38141
0.9306 High Similarity NPC278091
0.9306 High Similarity NPC78067
0.9306 High Similarity NPC14112
0.9306 High Similarity NPC91573
0.9296 High Similarity NPC472503
0.9296 High Similarity NPC196358
0.9296 High Similarity NPC254509
0.9296 High Similarity NPC62657
0.9296 High Similarity NPC25511
0.9296 High Similarity NPC476736
0.9296 High Similarity NPC49168
0.9296 High Similarity NPC308440
0.9296 High Similarity NPC5046
0.9296 High Similarity NPC145552
0.9296 High Similarity NPC192638
0.9189 High Similarity NPC24504
0.9189 High Similarity NPC476316
0.9178 High Similarity NPC202540
0.9167 High Similarity NPC200243
0.9155 High Similarity NPC195489
0.9155 High Similarity NPC472506
0.9079 High Similarity NPC218616
0.9079 High Similarity NPC296701
0.9067 High Similarity NPC47149
0.9054 High Similarity NPC477819
0.9054 High Similarity NPC472502
0.9054 High Similarity NPC138621
0.9054 High Similarity NPC6978
0.9054 High Similarity NPC31828
0.9054 High Similarity NPC475
0.9054 High Similarity NPC102708
0.9054 High Similarity NPC167037
0.9054 High Similarity NPC42853
0.9054 High Similarity NPC477817
0.9054 High Similarity NPC285761
0.9054 High Similarity NPC244385
0.9041 High Similarity NPC237460
0.9014 High Similarity NPC164045
0.8947 High Similarity NPC157655
0.8933 High Similarity NPC80297
0.8933 High Similarity NPC30986
0.8933 High Similarity NPC209430
0.8933 High Similarity NPC49627
0.8933 High Similarity NPC472742
0.8933 High Similarity NPC273410
0.8933 High Similarity NPC5604
0.8933 High Similarity NPC49599
0.8933 High Similarity NPC116119
0.8933 High Similarity NPC475727
0.8933 High Similarity NPC80530
0.8904 High Similarity NPC103822
0.8904 High Similarity NPC144075
0.8816 High Similarity NPC71535
0.8816 High Similarity NPC78545
0.8816 High Similarity NPC322313
0.8816 High Similarity NPC475679
0.8816 High Similarity NPC102253
0.8816 High Similarity NPC236237
0.8816 High Similarity NPC13554
0.88 High Similarity NPC302041
0.88 High Similarity NPC474216
0.88 High Similarity NPC85346
0.88 High Similarity NPC65897
0.8784 High Similarity NPC73875
0.8784 High Similarity NPC189883
0.8767 High Similarity NPC469534
0.8767 High Similarity NPC469533
0.8767 High Similarity NPC469593
0.8734 High Similarity NPC292553
0.8718 High Similarity NPC82623
0.8696 High Similarity NPC476737
0.8696 High Similarity NPC27243
0.8684 High Similarity NPC81306
0.8684 High Similarity NPC109546
0.8684 High Similarity NPC143182
0.8684 High Similarity NPC28862
0.8684 High Similarity NPC47982
0.8684 High Similarity NPC1319
0.8684 High Similarity NPC84694
0.8667 High Similarity NPC470711
0.8667 High Similarity NPC470758
0.8667 High Similarity NPC214570
0.8649 High Similarity NPC141071
0.8649 High Similarity NPC322353
0.8649 High Similarity NPC121744
0.8649 High Similarity NPC118508
0.8649 High Similarity NPC471723
0.8649 High Similarity NPC257347
0.863 High Similarity NPC211009
0.8625 High Similarity NPC168231
0.8625 High Similarity NPC472738
0.8608 High Similarity NPC256567
0.859 High Similarity NPC477599
0.859 High Similarity NPC101462
0.859 High Similarity NPC470049
0.859 High Similarity NPC87489
0.859 High Similarity NPC49964
0.859 High Similarity NPC202389
0.8571 High Similarity NPC234193
0.8571 High Similarity NPC164840
0.8571 High Similarity NPC236112
0.8571 High Similarity NPC241290
0.8571 High Similarity NPC209944
0.8571 High Similarity NPC206735
0.8553 High Similarity NPC11908
0.8553 High Similarity NPC473943
0.8553 High Similarity NPC275910
0.8553 High Similarity NPC312328
0.8551 High Similarity NPC68656
0.8533 High Similarity NPC321381
0.8533 High Similarity NPC247325
0.8533 High Similarity NPC300324
0.8533 High Similarity NPC134330
0.8533 High Similarity NPC244488
0.8533 High Similarity NPC129165
0.8533 High Similarity NPC202642
0.8533 High Similarity NPC470749
0.8533 High Similarity NPC240604
0.8533 High Similarity NPC46160
0.8533 High Similarity NPC107059
0.8533 High Similarity NPC321016
0.8519 High Similarity NPC4643
0.8493 Intermediate Similarity NPC301226
0.8481 Intermediate Similarity NPC211135
0.8481 Intermediate Similarity NPC216420
0.8481 Intermediate Similarity NPC207013
0.8481 Intermediate Similarity NPC470929
0.8481 Intermediate Similarity NPC5280
0.8481 Intermediate Similarity NPC232023
0.8481 Intermediate Similarity NPC477818
0.8481 Intermediate Similarity NPC472743
0.8481 Intermediate Similarity NPC85095
0.8481 Intermediate Similarity NPC110778
0.8481 Intermediate Similarity NPC134481
0.8481 Intermediate Similarity NPC475726
0.8481 Intermediate Similarity NPC246956
0.8481 Intermediate Similarity NPC470558
0.8481 Intermediate Similarity NPC113978
0.8481 Intermediate Similarity NPC317458
0.8472 Intermediate Similarity NPC9942
0.8472 Intermediate Similarity NPC210323
0.8462 Intermediate Similarity NPC209620
0.8462 Intermediate Similarity NPC264245
0.8462 Intermediate Similarity NPC474531
0.8462 Intermediate Similarity NPC23852
0.8442 Intermediate Similarity NPC472463
0.8429 Intermediate Similarity NPC258595
0.8421 Intermediate Similarity NPC318495
0.8421 Intermediate Similarity NPC198968
0.8421 Intermediate Similarity NPC155986
0.8415 Intermediate Similarity NPC67872
0.8415 Intermediate Similarity NPC16377
0.8406 Intermediate Similarity NPC114891
0.84 Intermediate Similarity NPC285893
0.84 Intermediate Similarity NPC22105
0.84 Intermediate Similarity NPC28657
0.84 Intermediate Similarity NPC136188
0.84 Intermediate Similarity NPC304309
0.84 Intermediate Similarity NPC230301
0.84 Intermediate Similarity NPC162742
0.84 Intermediate Similarity NPC288035
0.84 Intermediate Similarity NPC134847
0.8395 Intermediate Similarity NPC139724
0.8395 Intermediate Similarity NPC261266
0.8395 Intermediate Similarity NPC6391
0.8378 Intermediate Similarity NPC201373
0.8375 Intermediate Similarity NPC474482
0.8375 Intermediate Similarity NPC474047
0.8375 Intermediate Similarity NPC470077
0.8375 Intermediate Similarity NPC205845
0.8375 Intermediate Similarity NPC185568
0.8375 Intermediate Similarity NPC264665
0.8375 Intermediate Similarity NPC231310
0.8375 Intermediate Similarity NPC475745

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC185536 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
0.8816 High Similarity NPD7525 Registered
0.84 Intermediate Similarity NPD7339 Approved
0.84 Intermediate Similarity NPD6942 Approved
0.8272 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8052 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD7645 Phase 2
0.7973 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD6924 Approved
0.7792 Intermediate Similarity NPD6926 Approved
0.775 Intermediate Similarity NPD6929 Approved
0.7711 Intermediate Similarity NPD4786 Approved
0.7674 Intermediate Similarity NPD5328 Approved
0.7654 Intermediate Similarity NPD6931 Approved
0.7654 Intermediate Similarity NPD6930 Phase 2
0.7647 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD4787 Phase 1
0.7595 Intermediate Similarity NPD6933 Approved
0.759 Intermediate Similarity NPD4788 Approved
0.7532 Intermediate Similarity NPD7152 Approved
0.7532 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD7151 Approved
0.7532 Intermediate Similarity NPD7150 Approved
0.7532 Intermediate Similarity NPD4243 Approved
0.7532 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD3618 Phase 1
0.75 Intermediate Similarity NPD6079 Approved
0.75 Intermediate Similarity NPD6925 Approved
0.75 Intermediate Similarity NPD8034 Phase 2
0.75 Intermediate Similarity NPD6922 Approved
0.75 Intermediate Similarity NPD8035 Phase 2
0.75 Intermediate Similarity NPD5776 Phase 2
0.75 Intermediate Similarity NPD6923 Approved
0.747 Intermediate Similarity NPD3667 Approved
0.7439 Intermediate Similarity NPD4748 Discontinued
0.7407 Intermediate Similarity NPD7145 Approved
0.7403 Intermediate Similarity NPD7144 Approved
0.7403 Intermediate Similarity NPD7143 Approved
0.7381 Intermediate Similarity NPD6695 Phase 3
0.7375 Intermediate Similarity NPD6117 Approved
0.7342 Intermediate Similarity NPD4784 Approved
0.7342 Intermediate Similarity NPD4785 Approved
0.7342 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD7640 Approved
0.7312 Intermediate Similarity NPD7639 Approved
0.7294 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD6116 Phase 1
0.7273 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD7509 Discontinued
0.7229 Intermediate Similarity NPD7514 Phase 3
0.7222 Intermediate Similarity NPD4202 Approved
0.7209 Intermediate Similarity NPD6893 Approved
0.7204 Intermediate Similarity NPD7638 Approved
0.7195 Intermediate Similarity NPD6114 Approved
0.7195 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD6697 Approved
0.7195 Intermediate Similarity NPD6118 Approved
0.7195 Intermediate Similarity NPD6115 Approved
0.7143 Intermediate Similarity NPD6902 Approved
0.7093 Intermediate Similarity NPD3133 Approved
0.7093 Intermediate Similarity NPD3666 Approved
0.7093 Intermediate Similarity NPD3665 Phase 1
0.7073 Intermediate Similarity NPD6932 Approved
0.7045 Intermediate Similarity NPD7750 Discontinued
0.7045 Intermediate Similarity NPD7524 Approved
0.7037 Intermediate Similarity NPD4190 Phase 3
0.7037 Intermediate Similarity NPD5275 Approved
0.7037 Intermediate Similarity NPD3703 Phase 2
0.7037 Intermediate Similarity NPD8264 Approved
0.7024 Intermediate Similarity NPD7332 Phase 2
0.6989 Remote Similarity NPD5221 Approved
0.6989 Remote Similarity NPD5222 Approved
0.6989 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4697 Phase 3
0.6979 Remote Similarity NPD5211 Phase 2
0.6962 Remote Similarity NPD4789 Approved
0.6962 Remote Similarity NPD4245 Approved
0.6962 Remote Similarity NPD4244 Approved
0.6941 Remote Similarity NPD6898 Phase 1
0.6923 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5360 Phase 3
0.6923 Remote Similarity NPD7515 Phase 2
0.6915 Remote Similarity NPD5173 Approved
0.6915 Remote Similarity NPD4755 Approved
0.6905 Remote Similarity NPD6683 Phase 2
0.6905 Remote Similarity NPD4195 Approved
0.6848 Remote Similarity NPD6399 Phase 3
0.6837 Remote Similarity NPD5141 Approved
0.6835 Remote Similarity NPD3698 Phase 2
0.6824 Remote Similarity NPD6928 Phase 2
0.6804 Remote Similarity NPD7632 Discontinued
0.6771 Remote Similarity NPD4696 Approved
0.6771 Remote Similarity NPD5285 Approved
0.6771 Remote Similarity NPD4700 Approved
0.6771 Remote Similarity NPD5286 Approved
0.6753 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6742 Remote Similarity NPD5279 Phase 3
0.6739 Remote Similarity NPD7087 Discontinued
0.6705 Remote Similarity NPD3668 Phase 3
0.6703 Remote Similarity NPD4753 Phase 2
0.6701 Remote Similarity NPD5223 Approved
0.6667 Remote Similarity NPD4223 Phase 3
0.6667 Remote Similarity NPD4221 Approved
0.6667 Remote Similarity NPD5290 Discontinued
0.6633 Remote Similarity NPD5226 Approved
0.6633 Remote Similarity NPD5225 Approved
0.6633 Remote Similarity NPD4633 Approved
0.6633 Remote Similarity NPD5224 Approved
0.6629 Remote Similarity NPD5329 Approved
0.66 Remote Similarity NPD5739 Approved
0.66 Remote Similarity NPD6402 Approved
0.66 Remote Similarity NPD7128 Approved
0.66 Remote Similarity NPD6675 Approved
0.6596 Remote Similarity NPD7748 Approved
0.6588 Remote Similarity NPD3671 Phase 1
0.6566 Remote Similarity NPD5174 Approved
0.6566 Remote Similarity NPD4754 Approved
0.6566 Remote Similarity NPD5175 Approved
0.6522 Remote Similarity NPD6051 Approved
0.6517 Remote Similarity NPD4197 Approved
0.65 Remote Similarity NPD6705 Phase 1
0.6471 Remote Similarity NPD6899 Approved
0.6471 Remote Similarity NPD7320 Approved
0.6471 Remote Similarity NPD6881 Approved
0.6463 Remote Similarity NPD4758 Discontinued
0.6436 Remote Similarity NPD4768 Approved
0.6436 Remote Similarity NPD4767 Approved
0.6413 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6408 Remote Similarity NPD6373 Approved
0.6408 Remote Similarity NPD6372 Approved
0.6395 Remote Similarity NPD3617 Approved
0.6392 Remote Similarity NPD7902 Approved
0.6392 Remote Similarity NPD6083 Phase 2
0.6392 Remote Similarity NPD6084 Phase 2
0.6383 Remote Similarity NPD7637 Suspended
0.6374 Remote Similarity NPD7146 Approved
0.6374 Remote Similarity NPD7521 Approved
0.6374 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6374 Remote Similarity NPD6684 Approved
0.6374 Remote Similarity NPD5330 Approved
0.6374 Remote Similarity NPD4690 Approved
0.6374 Remote Similarity NPD4689 Approved
0.6374 Remote Similarity NPD5205 Approved
0.6374 Remote Similarity NPD4688 Approved
0.6374 Remote Similarity NPD4693 Phase 3
0.6374 Remote Similarity NPD4138 Approved
0.6374 Remote Similarity NPD7334 Approved
0.6374 Remote Similarity NPD6409 Approved
0.6373 Remote Similarity NPD5697 Approved
0.6373 Remote Similarity NPD5701 Approved
0.6364 Remote Similarity NPD4159 Approved
0.6364 Remote Similarity NPD368 Approved
0.6354 Remote Similarity NPD5210 Approved
0.6354 Remote Similarity NPD4629 Approved
0.6346 Remote Similarity NPD7290 Approved
0.6346 Remote Similarity NPD7102 Approved
0.6346 Remote Similarity NPD6883 Approved
0.6327 Remote Similarity NPD4225 Approved
0.6311 Remote Similarity NPD5128 Approved
0.6311 Remote Similarity NPD4729 Approved
0.6311 Remote Similarity NPD5168 Approved
0.6311 Remote Similarity NPD4730 Approved
0.6311 Remote Similarity NPD6011 Approved
0.6296 Remote Similarity NPD7115 Discovery
0.6286 Remote Similarity NPD6649 Approved
0.6286 Remote Similarity NPD6847 Approved
0.6286 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6869 Approved
0.6286 Remote Similarity NPD6617 Approved
0.6286 Remote Similarity NPD6650 Approved
0.6286 Remote Similarity NPD8130 Phase 1
0.6277 Remote Similarity NPD6700 Approved
0.6277 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6277 Remote Similarity NPD7136 Phase 2
0.6265 Remote Similarity NPD6081 Approved
0.625 Remote Similarity NPD6012 Approved
0.625 Remote Similarity NPD6014 Approved
0.625 Remote Similarity NPD4224 Phase 2
0.625 Remote Similarity NPD6013 Approved
0.6239 Remote Similarity NPD7327 Approved
0.6239 Remote Similarity NPD7328 Approved
0.6237 Remote Similarity NPD6903 Approved
0.6237 Remote Similarity NPD6672 Approved
0.6237 Remote Similarity NPD4722 Approved
0.6237 Remote Similarity NPD4723 Approved
0.6237 Remote Similarity NPD5737 Approved
0.6232 Remote Similarity NPD384 Approved
0.6232 Remote Similarity NPD385 Approved
0.6226 Remote Similarity NPD8297 Approved
0.6226 Remote Similarity NPD6882 Approved
0.6211 Remote Similarity NPD6703 Approved
0.6211 Remote Similarity NPD6702 Approved
0.6207 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6207 Remote Similarity NPD5364 Discontinued
0.6196 Remote Similarity NPD5690 Phase 2
0.6196 Remote Similarity NPD4623 Approved
0.6196 Remote Similarity NPD4694 Approved
0.6196 Remote Similarity NPD5280 Approved
0.6196 Remote Similarity NPD4519 Discontinued
0.619 Remote Similarity NPD5169 Approved

Structure

External Identifiers

PubChem CID   14524502
ChEMBL   CHEMBL491343
ZINC  

Physicochemical Properties

Molecular Weight:  442.38
ALogP:  2.7408
MLogP:  4.54
XLogP:  9.318
# Rotatable Bonds:  13
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  32

Download Data

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