Natural Product: NPC15534

Natural Product ID:  NPC15534
Common Name:   (23E)-23-Dehydro-25-Hydroxysunpollenol
IUPAC Name:   (E,6S)-6-[(1S,3aR,3bS,5aR,9aS,9bR,11aS)-5a-(2-hydroxypropan-2-yl)-3a,9b,11a-trimethyl-1,2,3,3b,4,5,7,8,9,9a,10,11-dodecahydroindeno[5,4-f]chromen-1-yl]-2-methylhept-3-en-2-ol
Synonyms:  
Molecular Formula:   C30H52O3
Standard InCHIKey:  UKFWDFNNVJCRIS-BZLUUICUSA-N
Standard InCHI:  InChI=1S/C30H52O3/c1-21(11-9-15-25(2,3)31)22-13-16-29(8)23-14-17-30(26(4,5)32)24(12-10-20-33-30)27(23,6)18-19-28(22,29)7/h9,15,21-24,31-32H,10-14,16-20H2,1-8H3/b15-9+/t21-,22-,23-,24-,27+,28-,29+,30+/m0/s1
Canonical SMILES:  C[C@H]([C@@H]1CC[C@]2([C@@]1(C)CC[C@@]1([C@@H]2CC[C@@]2([C@H]1CCCO2)C(O)(C)C)C)C)C/C=C/C(O)(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
NPO33432 sunflower pollen Species NA NA PMID[14640522]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 0 % 11473417
NPT2 Others Unspecified Activity = 90 % 19786608
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 20192239
NPT2 Others Unspecified Activity = 70.6 % 24725159
NPT2 Others Unspecified Activity = 22 % 16499316

  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 NPC15534 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
0.9367 High Similarity NPC70927
0.878 High Similarity NPC296701
0.878 High Similarity NPC218616
0.8675 High Similarity NPC470558
0.8675 High Similarity NPC82623
0.8605 High Similarity NPC133588
0.8588 High Similarity NPC125399
0.8571 High Similarity NPC474047
0.8571 High Similarity NPC470077
0.8554 High Similarity NPC87489
0.8554 High Similarity NPC49964
0.8537 High Similarity NPC13554
0.8471 Intermediate Similarity NPC470360
0.8471 Intermediate Similarity NPC274448
0.8452 Intermediate Similarity NPC134481
0.8452 Intermediate Similarity NPC317458
0.8452 Intermediate Similarity NPC474634
0.8444 Intermediate Similarity NPC8774
0.8434 Intermediate Similarity NPC264245
0.8415 Intermediate Similarity NPC30986
0.8415 Intermediate Similarity NPC209430
0.8409 Intermediate Similarity NPC11216
0.8409 Intermediate Similarity NPC291484
0.8409 Intermediate Similarity NPC204188
0.8409 Intermediate Similarity NPC329596
0.8409 Intermediate Similarity NPC80561
0.8409 Intermediate Similarity NPC3345
0.8372 Intermediate Similarity NPC261266
0.8372 Intermediate Similarity NPC299068
0.837 Intermediate Similarity NPC476895
0.8353 Intermediate Similarity NPC185568
0.8353 Intermediate Similarity NPC231310
0.8353 Intermediate Similarity NPC205845
0.8352 Intermediate Similarity NPC227583
0.8352 Intermediate Similarity NPC98457
0.8352 Intermediate Similarity NPC12103
0.8352 Intermediate Similarity NPC288970
0.8333 Intermediate Similarity NPC470049
0.8333 Intermediate Similarity NPC30166
0.8333 Intermediate Similarity NPC65402
0.8333 Intermediate Similarity NPC127718
0.8315 Intermediate Similarity NPC275671
0.8315 Intermediate Similarity NPC41554
0.8315 Intermediate Similarity NPC97404
0.8313 Intermediate Similarity NPC241290
0.8313 Intermediate Similarity NPC236112
0.8313 Intermediate Similarity NPC234193
0.8313 Intermediate Similarity NPC164840
0.8313 Intermediate Similarity NPC209944
0.8295 Intermediate Similarity NPC470361
0.8293 Intermediate Similarity NPC285761
0.8293 Intermediate Similarity NPC137587
0.8293 Intermediate Similarity NPC11908
0.8276 Intermediate Similarity NPC149224
0.8276 Intermediate Similarity NPC476948
0.8272 Intermediate Similarity NPC470749
0.8261 Intermediate Similarity NPC476893
0.8261 Intermediate Similarity NPC261807
0.8256 Intermediate Similarity NPC318390
0.8256 Intermediate Similarity NPC157257
0.825 Intermediate Similarity NPC201048
0.825 Intermediate Similarity NPC476366
0.8242 Intermediate Similarity NPC476894
0.8235 Intermediate Similarity NPC475789
0.8235 Intermediate Similarity NPC207013
0.8222 Intermediate Similarity NPC307776
0.8222 Intermediate Similarity NPC27531
0.8214 Intermediate Similarity NPC47761
0.8214 Intermediate Similarity NPC474531
0.8202 Intermediate Similarity NPC295668
0.8193 Intermediate Similarity NPC80530
0.8193 Intermediate Similarity NPC328714
0.8193 Intermediate Similarity NPC81306
0.8193 Intermediate Similarity NPC109546
0.8193 Intermediate Similarity NPC84694
0.8193 Intermediate Similarity NPC72755
0.8193 Intermediate Similarity NPC273410
0.8193 Intermediate Similarity NPC143182
0.8193 Intermediate Similarity NPC476367
0.8193 Intermediate Similarity NPC28862
0.8193 Intermediate Similarity NPC47982
0.8191 Intermediate Similarity NPC476896
0.8182 Intermediate Similarity NPC67872
0.8182 Intermediate Similarity NPC474668
0.8182 Intermediate Similarity NPC4574
0.8182 Intermediate Similarity NPC471952
0.8182 Intermediate Similarity NPC212596
0.8171 Intermediate Similarity NPC470758
0.8171 Intermediate Similarity NPC470711
0.8161 Intermediate Similarity NPC139724
0.8161 Intermediate Similarity NPC6391
0.8152 Intermediate Similarity NPC210717
0.8152 Intermediate Similarity NPC103165
0.814 Intermediate Similarity NPC238485
0.8132 Intermediate Similarity NPC144202
0.8118 Intermediate Similarity NPC101462
0.8118 Intermediate Similarity NPC155521
0.8118 Intermediate Similarity NPC202389
0.8118 Intermediate Similarity NPC50964
0.8111 Intermediate Similarity NPC471453
0.8111 Intermediate Similarity NPC210268
0.8095 Intermediate Similarity NPC322313
0.8095 Intermediate Similarity NPC102253
0.8095 Intermediate Similarity NPC236237
0.809 Intermediate Similarity NPC101886
0.8072 Intermediate Similarity NPC167037
0.8072 Intermediate Similarity NPC138621
0.8072 Intermediate Similarity NPC167891
0.8072 Intermediate Similarity NPC474216
0.8072 Intermediate Similarity NPC6978
0.8072 Intermediate Similarity NPC83351
0.8072 Intermediate Similarity NPC244385
0.8068 Intermediate Similarity NPC470620
0.8068 Intermediate Similarity NPC304083
0.8065 Intermediate Similarity NPC210337
0.8049 Intermediate Similarity NPC134330
0.8049 Intermediate Similarity NPC244488
0.8049 Intermediate Similarity NPC247325
0.8049 Intermediate Similarity NPC470766
0.8049 Intermediate Similarity NPC189883
0.8049 Intermediate Similarity NPC91573
0.8049 Intermediate Similarity NPC129165
0.8049 Intermediate Similarity NPC237460
0.8046 Intermediate Similarity NPC266511
0.8023 Intermediate Similarity NPC132635
0.8022 Intermediate Similarity NPC310013
0.8022 Intermediate Similarity NPC27918
0.8 Intermediate Similarity NPC7505
0.8 Intermediate Similarity NPC474683
0.8 Intermediate Similarity NPC23852
0.8 Intermediate Similarity NPC474752
0.8 Intermediate Similarity NPC209620
0.8 Intermediate Similarity NPC476897
0.8 Intermediate Similarity NPC474759
0.8 Intermediate Similarity NPC474731
0.8 Intermediate Similarity NPC6707
0.8 Intermediate Similarity NPC82986
0.7978 Intermediate Similarity NPC475605
0.7978 Intermediate Similarity NPC280556
0.7976 Intermediate Similarity NPC233295
0.7976 Intermediate Similarity NPC1319
0.7957 Intermediate Similarity NPC88009
0.7957 Intermediate Similarity NPC72204
0.7955 Intermediate Similarity NPC94462
0.7952 Intermediate Similarity NPC214570
0.7952 Intermediate Similarity NPC91594
0.7952 Intermediate Similarity NPC318495
0.7952 Intermediate Similarity NPC155986
0.7952 Intermediate Similarity NPC474230
0.7952 Intermediate Similarity NPC198968
0.7927 Intermediate Similarity NPC257347
0.7927 Intermediate Similarity NPC32832
0.7927 Intermediate Similarity NPC185536
0.7927 Intermediate Similarity NPC471723
0.7927 Intermediate Similarity NPC141071
0.7912 Intermediate Similarity NPC177641
0.7907 Intermediate Similarity NPC189972
0.7907 Intermediate Similarity NPC471408
0.7895 Intermediate Similarity NPC230546
0.7895 Intermediate Similarity NPC473510
0.7889 Intermediate Similarity NPC138974
0.7889 Intermediate Similarity NPC477606
0.7889 Intermediate Similarity NPC109744
0.7879 Intermediate Similarity NPC472896
0.7879 Intermediate Similarity NPC472897
0.7875 Intermediate Similarity NPC475728
0.7872 Intermediate Similarity NPC476040
0.7872 Intermediate Similarity NPC476021
0.7872 Intermediate Similarity NPC477226
0.7872 Intermediate Similarity NPC474994
0.7865 Intermediate Similarity NPC474657
0.7865 Intermediate Similarity NPC186145
0.7857 Intermediate Similarity NPC472898
0.7857 Intermediate Similarity NPC472900
0.7857 Intermediate Similarity NPC301707
0.7857 Intermediate Similarity NPC473943
0.7857 Intermediate Similarity NPC472342
0.7857 Intermediate Similarity NPC275910
0.7857 Intermediate Similarity NPC65897
0.7857 Intermediate Similarity NPC472899
0.7857 Intermediate Similarity NPC302041
0.7857 Intermediate Similarity NPC85346
0.7849 Intermediate Similarity NPC84383
0.7841 Intermediate Similarity NPC477578
0.7831 Intermediate Similarity NPC240604
0.7831 Intermediate Similarity NPC46160
0.7831 Intermediate Similarity NPC202642
0.7831 Intermediate Similarity NPC73875
0.7831 Intermediate Similarity NPC474231
0.7831 Intermediate Similarity NPC470362
0.7831 Intermediate Similarity NPC265588
0.7831 Intermediate Similarity NPC300324
0.7831 Intermediate Similarity NPC107059
0.7831 Intermediate Similarity NPC113733
0.7831 Intermediate Similarity NPC321016
0.7831 Intermediate Similarity NPC321381
0.7826 Intermediate Similarity NPC38232
0.7826 Intermediate Similarity NPC98193
0.7826 Intermediate Similarity NPC137461
0.7816 Intermediate Similarity NPC141941

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC15534 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
0.8095 Intermediate Similarity NPD7525 Registered
0.7711 Intermediate Similarity NPD7339 Approved
0.7711 Intermediate Similarity NPD6942 Approved
0.7667 Intermediate Similarity NPD7524 Approved
0.7619 Intermediate Similarity NPD6933 Approved
0.759 Intermediate Similarity NPD4784 Approved
0.759 Intermediate Similarity NPD4785 Approved
0.7561 Intermediate Similarity NPD4243 Approved
0.7473 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD6695 Phase 3
0.7412 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD6924 Approved
0.7381 Intermediate Similarity NPD6926 Approved
0.7356 Intermediate Similarity NPD7645 Phase 2
0.7333 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6931 Approved
0.7273 Intermediate Similarity NPD6930 Phase 2
0.7273 Intermediate Similarity NPD7514 Phase 3
0.7241 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD7639 Approved
0.7172 Intermediate Similarity NPD7640 Approved
0.7159 Intermediate Similarity NPD6929 Approved
0.7159 Intermediate Similarity NPD4195 Approved
0.7158 Intermediate Similarity NPD6079 Approved
0.7143 Intermediate Similarity NPD4786 Approved
0.7143 Intermediate Similarity NPD7152 Approved
0.7143 Intermediate Similarity NPD7150 Approved
0.7143 Intermediate Similarity NPD7151 Approved
0.713 Intermediate Similarity NPD7115 Discovery
0.7128 Intermediate Similarity NPD5328 Approved
0.7108 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7750 Discontinued
0.7093 Intermediate Similarity NPD5275 Approved
0.7093 Intermediate Similarity NPD4190 Phase 3
0.7079 Intermediate Similarity NPD7332 Phase 2
0.7071 Intermediate Similarity NPD7638 Approved
0.7045 Intermediate Similarity NPD7145 Approved
0.7024 Intermediate Similarity NPD7143 Approved
0.7024 Intermediate Similarity NPD7144 Approved
0.7 Intermediate Similarity NPD6902 Approved
0.6989 Remote Similarity NPD3618 Phase 1
0.6947 Remote Similarity NPD6051 Approved
0.6932 Remote Similarity NPD6925 Approved
0.6932 Remote Similarity NPD6932 Approved
0.6932 Remote Similarity NPD5776 Phase 2
0.6931 Remote Similarity NPD4159 Approved
0.6923 Remote Similarity NPD3667 Approved
0.6909 Remote Similarity NPD7328 Approved
0.6909 Remote Similarity NPD7327 Approved
0.6907 Remote Similarity NPD6399 Phase 3
0.6907 Remote Similarity NPD4202 Approved
0.6905 Remote Similarity NPD6922 Approved
0.6905 Remote Similarity NPD6923 Approved
0.69 Remote Similarity NPD4225 Approved
0.6897 Remote Similarity NPD8264 Approved
0.6889 Remote Similarity NPD4748 Discontinued
0.6889 Remote Similarity NPD7509 Discontinued
0.6882 Remote Similarity NPD6893 Approved
0.6863 Remote Similarity NPD5211 Phase 2
0.6847 Remote Similarity NPD7516 Approved
0.6804 Remote Similarity NPD7087 Discontinued
0.6786 Remote Similarity NPD8294 Approved
0.6786 Remote Similarity NPD8377 Approved
0.6759 Remote Similarity NPD8297 Approved
0.6739 Remote Similarity NPD4221 Approved
0.6739 Remote Similarity NPD4223 Phase 3
0.6731 Remote Similarity NPD5141 Approved
0.6726 Remote Similarity NPD8379 Approved
0.6726 Remote Similarity NPD8033 Approved
0.6726 Remote Similarity NPD8296 Approved
0.6726 Remote Similarity NPD8378 Approved
0.6726 Remote Similarity NPD8380 Approved
0.6726 Remote Similarity NPD8335 Approved
0.6726 Remote Similarity NPD7503 Approved
0.6702 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5329 Approved
0.67 Remote Similarity NPD5221 Approved
0.67 Remote Similarity NPD5220 Clinical (unspecified phase)
0.67 Remote Similarity NPD5222 Approved
0.6698 Remote Similarity NPD6899 Approved
0.6698 Remote Similarity NPD6881 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6667 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD7128 Approved
0.6634 Remote Similarity NPD5173 Approved
0.6634 Remote Similarity NPD6083 Phase 2
0.6634 Remote Similarity NPD4755 Approved
0.6634 Remote Similarity NPD6084 Phase 2
0.6633 Remote Similarity NPD8035 Phase 2
0.6633 Remote Similarity NPD7637 Suspended
0.6633 Remote Similarity NPD8034 Phase 2
0.6632 Remote Similarity NPD4623 Approved
0.6632 Remote Similarity NPD4519 Discontinued
0.663 Remote Similarity NPD6898 Phase 1
0.6604 Remote Similarity NPD5697 Approved
0.6602 Remote Similarity NPD5223 Approved
0.6598 Remote Similarity NPD4753 Phase 2
0.6596 Remote Similarity NPD3665 Phase 1
0.6596 Remote Similarity NPD3133 Approved
0.6596 Remote Similarity NPD3666 Approved
0.6596 Remote Similarity NPD4197 Approved
0.6593 Remote Similarity NPD6683 Phase 2
0.6574 Remote Similarity NPD7290 Approved
0.6574 Remote Similarity NPD7102 Approved
0.6574 Remote Similarity NPD6883 Approved
0.6545 Remote Similarity NPD4632 Approved
0.6542 Remote Similarity NPD6011 Approved
0.6542 Remote Similarity NPD7320 Approved
0.6538 Remote Similarity NPD5224 Approved
0.6538 Remote Similarity NPD5226 Approved
0.6538 Remote Similarity NPD5225 Approved
0.6538 Remote Similarity NPD4633 Approved
0.6538 Remote Similarity NPD7632 Discontinued
0.6535 Remote Similarity NPD4697 Phase 3
0.6514 Remote Similarity NPD6649 Approved
0.6514 Remote Similarity NPD6847 Approved
0.6514 Remote Similarity NPD6650 Approved
0.6514 Remote Similarity NPD8130 Phase 1
0.6514 Remote Similarity NPD6617 Approved
0.6514 Remote Similarity NPD6869 Approved
0.6505 Remote Similarity NPD4700 Approved
0.65 Remote Similarity NPD7748 Approved
0.6496 Remote Similarity NPD7507 Approved
0.6495 Remote Similarity NPD6672 Approved
0.6495 Remote Similarity NPD5737 Approved
0.6489 Remote Similarity NPD4788 Approved
0.6481 Remote Similarity NPD6014 Approved
0.6481 Remote Similarity NPD6373 Approved
0.6481 Remote Similarity NPD6013 Approved
0.6481 Remote Similarity NPD6012 Approved
0.6481 Remote Similarity NPD6372 Approved
0.6476 Remote Similarity NPD5175 Approved
0.6476 Remote Similarity NPD5174 Approved
0.6458 Remote Similarity NPD7521 Approved
0.6458 Remote Similarity NPD6684 Approved
0.6458 Remote Similarity NPD5330 Approved
0.6458 Remote Similarity NPD4688 Approved
0.6458 Remote Similarity NPD7146 Approved
0.6458 Remote Similarity NPD4693 Phase 3
0.6458 Remote Similarity NPD7334 Approved
0.6458 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6458 Remote Similarity NPD6098 Approved
0.6458 Remote Similarity NPD4690 Approved
0.6458 Remote Similarity NPD6409 Approved
0.6458 Remote Similarity NPD5690 Phase 2
0.6458 Remote Similarity NPD5205 Approved
0.6458 Remote Similarity NPD4689 Approved
0.6458 Remote Similarity NPD4138 Approved
0.6455 Remote Similarity NPD6882 Approved
0.6449 Remote Similarity NPD6412 Phase 2
0.6449 Remote Similarity NPD5701 Approved
0.6437 Remote Similarity NPD4787 Phase 1
0.6436 Remote Similarity NPD5210 Approved
0.6436 Remote Similarity NPD4629 Approved
0.6436 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5695 Phase 3
0.6422 Remote Similarity NPD4634 Approved
0.6421 Remote Similarity NPD3668 Phase 3
0.6408 Remote Similarity NPD5696 Approved
0.6408 Remote Similarity NPD5290 Discontinued
0.6392 Remote Similarity NPD3573 Approved
0.6364 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6348 Remote Similarity NPD6319 Approved
0.6348 Remote Similarity NPD6054 Approved
0.6337 Remote Similarity NPD5771 Approved
0.6333 Remote Similarity NPD7319 Approved
0.6327 Remote Similarity NPD4722 Approved
0.6327 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6327 Remote Similarity NPD4723 Approved
0.6327 Remote Similarity NPD6903 Approved
0.6321 Remote Similarity NPD4754 Approved
0.6311 Remote Similarity NPD7902 Approved
0.6304 Remote Similarity NPD5784 Clinical (unspecified phase)
0.63 Remote Similarity NPD7515 Phase 2
0.6289 Remote Similarity NPD5280 Approved
0.6289 Remote Similarity NPD4694 Approved
0.6289 Remote Similarity NPD5279 Phase 3
0.6286 Remote Similarity NPD5344 Discontinued
0.6265 Remote Similarity NPD368 Approved
0.6263 Remote Similarity NPD6673 Approved
0.6263 Remote Similarity NPD6080 Approved
0.6263 Remote Similarity NPD6904 Approved
0.6239 Remote Similarity NPD6370 Approved
0.6239 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6686 Approved
0.6239 Remote Similarity NPD4729 Approved
0.6239 Remote Similarity NPD4730 Approved
0.6228 Remote Similarity NPD6009 Approved
0.6207 Remote Similarity NPD5360 Phase 3
0.6207 Remote Similarity NPD6059 Approved
0.6207 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6204 Remote Similarity NPD4768 Approved
0.6204 Remote Similarity NPD6640 Phase 3
0.6204 Remote Similarity NPD4767 Approved
0.6186 Remote Similarity NPD7604 Phase 2
0.6182 Remote Similarity NPD4061 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11751541
ChEMBL   CHEMBL459485
ZINC  

Physicochemical Properties

Molecular Weight:  460.39
ALogP:  2.0425
MLogP:  4.43
XLogP:  9.114
# Rotatable Bonds:  15
Polar Surface Area:  49.69
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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