Natural Product: NPC157777

Natural Product ID:  NPC157777
Common Name:   (24S)-24,25-Dihydroxysunpollenol
IUPAC Name:   (3S,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-methylheptane-2,3-diol
Synonyms:  
Molecular Formula:   C30H54O4
Standard InCHIKey:  YQDBUANZKYBHHI-YTXZDOLYSA-N
Standard InCHI:  InChI=1S/C30H54O4/c1-20(11-12-24(31)25(2,3)32)21-13-15-29(8)22-14-16-30(26(4,5)33)23(10-9-19-34-30)27(22,6)17-18-28(21,29)7/h20-24,31-33H,9-19H2,1-8H3/t20-,21-,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)CC[C@@H](C(O)(C)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
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 = 73.3 % 17958396
NPT2 Others Unspecified Activity = 0 % 15781124
NPT2 Others Unspecified Activity = 94.2 % Open TG-GATES in vivo data: Organ Weight
NPT80 Cell Line Raji Homo sapiens Activity = 70 % DrugMatrix in vivo data: Pathology
NPT2 Others Unspecified Activity = 25.3 % 17371815

  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 NPC157777 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 NPC131506
0.9412 High Similarity NPC127283
0.9412 High Similarity NPC8004
0.913 High Similarity NPC100586
0.913 High Similarity NPC109457
0.913 High Similarity NPC157422
0.9118 High Similarity NPC107919
0.9028 High Similarity NPC64081
0.9028 High Similarity NPC133596
0.9028 High Similarity NPC474574
0.9028 High Similarity NPC11907
0.9014 High Similarity NPC231680
0.9014 High Similarity NPC91387
0.9014 High Similarity NPC270306
0.9 High Similarity NPC473238
0.9 High Similarity NPC472341
0.8986 High Similarity NPC282454
0.8889 High Similarity NPC470145
0.8857 High Similarity NPC473279
0.8841 High Similarity NPC241085
0.8841 High Similarity NPC470830
0.8841 High Similarity NPC299948
0.8784 High Similarity NPC477282
0.8784 High Similarity NPC81074
0.8732 High Similarity NPC153719
0.8714 High Similarity NPC231945
0.8611 High Similarity NPC477508
0.8592 High Similarity NPC470071
0.8592 High Similarity NPC1340
0.8592 High Similarity NPC187471
0.8592 High Similarity NPC195530
0.8592 High Similarity NPC252182
0.8571 High Similarity NPC66407
0.8551 High Similarity NPC48079
0.8551 High Similarity NPC63190
0.8529 High Similarity NPC472946
0.8514 High Similarity NPC171658
0.8507 High Similarity NPC114891
0.8493 Intermediate Similarity NPC243027
0.8493 Intermediate Similarity NPC317242
0.8493 Intermediate Similarity NPC196136
0.8493 Intermediate Similarity NPC158208
0.8472 Intermediate Similarity NPC470610
0.8451 Intermediate Similarity NPC192192
0.8442 Intermediate Similarity NPC475388
0.8429 Intermediate Similarity NPC472741
0.8421 Intermediate Similarity NPC16449
0.8406 Intermediate Similarity NPC142712
0.8378 Intermediate Similarity NPC163597
0.8358 Intermediate Similarity NPC71460
0.8358 Intermediate Similarity NPC218585
0.8358 Intermediate Similarity NPC148174
0.8356 Intermediate Similarity NPC472944
0.8356 Intermediate Similarity NPC228994
0.8356 Intermediate Similarity NPC472945
0.8356 Intermediate Similarity NPC192501
0.8356 Intermediate Similarity NPC10476
0.8356 Intermediate Similarity NPC48795
0.8354 Intermediate Similarity NPC290612
0.8333 Intermediate Similarity NPC477285
0.8333 Intermediate Similarity NPC111582
0.8333 Intermediate Similarity NPC127094
0.8333 Intermediate Similarity NPC470070
0.8312 Intermediate Similarity NPC190940
0.831 Intermediate Similarity NPC129829
0.831 Intermediate Similarity NPC254037
0.8286 Intermediate Similarity NPC475884
0.8286 Intermediate Similarity NPC473230
0.8267 Intermediate Similarity NPC105208
0.8267 Intermediate Similarity NPC477227
0.8267 Intermediate Similarity NPC185915
0.8267 Intermediate Similarity NPC192046
0.8267 Intermediate Similarity NPC302578
0.8267 Intermediate Similarity NPC128951
0.8261 Intermediate Similarity NPC474380
0.8261 Intermediate Similarity NPC475943
0.8261 Intermediate Similarity NPC190827
0.8261 Intermediate Similarity NPC260116
0.8261 Intermediate Similarity NPC41577
0.8261 Intermediate Similarity NPC473276
0.8261 Intermediate Similarity NPC243469
0.8243 Intermediate Similarity NPC472950
0.8243 Intermediate Similarity NPC472952
0.8205 Intermediate Similarity NPC202688
0.8205 Intermediate Similarity NPC477286
0.8205 Intermediate Similarity NPC154043
0.8205 Intermediate Similarity NPC60018
0.8205 Intermediate Similarity NPC286719
0.8194 Intermediate Similarity NPC251201
0.8194 Intermediate Similarity NPC63588
0.8194 Intermediate Similarity NPC232925
0.8158 Intermediate Similarity NPC147993
0.8158 Intermediate Similarity NPC67657
0.8158 Intermediate Similarity NPC18857
0.8148 Intermediate Similarity NPC140446
0.8148 Intermediate Similarity NPC43912
0.8143 Intermediate Similarity NPC44122
0.8133 Intermediate Similarity NPC477601
0.8133 Intermediate Similarity NPC473916
0.8133 Intermediate Similarity NPC91573
0.8133 Intermediate Similarity NPC477602
0.8116 Intermediate Similarity NPC159654
0.8116 Intermediate Similarity NPC118937
0.8116 Intermediate Similarity NPC281540
0.8116 Intermediate Similarity NPC69149
0.8116 Intermediate Similarity NPC167995
0.8108 Intermediate Similarity NPC304499
0.8082 Intermediate Similarity NPC478103
0.8077 Intermediate Similarity NPC70927
0.8056 Intermediate Similarity NPC99264
0.8056 Intermediate Similarity NPC470833
0.8056 Intermediate Similarity NPC477820
0.8052 Intermediate Similarity NPC287452
0.8052 Intermediate Similarity NPC220379
0.803 Intermediate Similarity NPC135438
0.8026 Intermediate Similarity NPC476233
0.8026 Intermediate Similarity NPC212453
0.8025 Intermediate Similarity NPC80700
0.8025 Intermediate Similarity NPC215968
0.8025 Intermediate Similarity NPC155531
0.8025 Intermediate Similarity NPC471240
0.8 Intermediate Similarity NPC320824
0.7975 Intermediate Similarity NPC470611
0.7952 Intermediate Similarity NPC82955
0.7952 Intermediate Similarity NPC131466
0.7952 Intermediate Similarity NPC228059
0.7927 Intermediate Similarity NPC161928
0.7927 Intermediate Similarity NPC210658
0.7922 Intermediate Similarity NPC471045
0.7922 Intermediate Similarity NPC471769
0.7922 Intermediate Similarity NPC177343
0.7917 Intermediate Similarity NPC475893
0.7917 Intermediate Similarity NPC474756
0.791 Intermediate Similarity NPC476735
0.7901 Intermediate Similarity NPC266651
0.7901 Intermediate Similarity NPC232044
0.7901 Intermediate Similarity NPC273290
0.7895 Intermediate Similarity NPC470766
0.7875 Intermediate Similarity NPC472744
0.7875 Intermediate Similarity NPC132635
0.7867 Intermediate Similarity NPC475458
0.7867 Intermediate Similarity NPC470151
0.7867 Intermediate Similarity NPC478130
0.7857 Intermediate Similarity NPC279329
0.7848 Intermediate Similarity NPC73515
0.7848 Intermediate Similarity NPC12933
0.7831 Intermediate Similarity NPC281004
0.7831 Intermediate Similarity NPC128475
0.7826 Intermediate Similarity NPC185547
0.7826 Intermediate Similarity NPC95804
0.7821 Intermediate Similarity NPC476176
0.7821 Intermediate Similarity NPC269333
0.7805 Intermediate Similarity NPC477283
0.7805 Intermediate Similarity NPC103782
0.7805 Intermediate Similarity NPC114378
0.7805 Intermediate Similarity NPC125399
0.7794 Intermediate Similarity NPC95958
0.7794 Intermediate Similarity NPC185116
0.7778 Intermediate Similarity NPC474156
0.7778 Intermediate Similarity NPC15534
0.7778 Intermediate Similarity NPC476928
0.7778 Intermediate Similarity NPC227260
0.7778 Intermediate Similarity NPC204233
0.7765 Intermediate Similarity NPC36372
0.7765 Intermediate Similarity NPC293609
0.7765 Intermediate Similarity NPC307167
0.7765 Intermediate Similarity NPC210759
0.7765 Intermediate Similarity NPC229801
0.7763 Intermediate Similarity NPC3403
0.7763 Intermediate Similarity NPC186851
0.7761 Intermediate Similarity NPC236588
0.775 Intermediate Similarity NPC30166
0.775 Intermediate Similarity NPC296734
0.7746 Intermediate Similarity NPC80463
0.7738 Intermediate Similarity NPC102725
0.7738 Intermediate Similarity NPC473472
0.7733 Intermediate Similarity NPC232112
0.7733 Intermediate Similarity NPC253805
0.7722 Intermediate Similarity NPC472943
0.7722 Intermediate Similarity NPC22403
0.7722 Intermediate Similarity NPC472951
0.7722 Intermediate Similarity NPC13554
0.7714 Intermediate Similarity NPC249078
0.7714 Intermediate Similarity NPC209686
0.7714 Intermediate Similarity NPC236099
0.7711 Intermediate Similarity NPC202937
0.7711 Intermediate Similarity NPC472396
0.7692 Intermediate Similarity NPC301707
0.7692 Intermediate Similarity NPC137587
0.7692 Intermediate Similarity NPC102708
0.7674 Intermediate Similarity NPC277774
0.7674 Intermediate Similarity NPC167644
0.7674 Intermediate Similarity NPC311246
0.7662 Intermediate Similarity NPC4209
0.7654 Intermediate Similarity NPC241959
0.7654 Intermediate Similarity NPC217559
0.7654 Intermediate Similarity NPC216420
0.7654 Intermediate Similarity NPC85095
0.7654 Intermediate Similarity NPC478054
0.7654 Intermediate Similarity NPC268578

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC157777 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
0.9118 High Similarity NPD4267 Clinical (unspecified phase)
0.7945 Intermediate Similarity NPD4787 Phase 1
0.7662 Intermediate Similarity NPD6117 Approved
0.76 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD6116 Phase 1
0.75 Intermediate Similarity NPD6928 Phase 2
0.75 Intermediate Similarity NPD7525 Registered
0.7468 Intermediate Similarity NPD6115 Approved
0.7468 Intermediate Similarity NPD6114 Approved
0.7468 Intermediate Similarity NPD6697 Approved
0.7468 Intermediate Similarity NPD6118 Approved
0.7403 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD371 Approved
0.7333 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD8171 Discontinued
0.72 Intermediate Similarity NPD5360 Phase 3
0.72 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD3702 Approved
0.7089 Intermediate Similarity NPD3703 Phase 2
0.7027 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD4245 Approved
0.7013 Intermediate Similarity NPD4244 Approved
0.7013 Intermediate Similarity NPD4789 Approved
0.6883 Remote Similarity NPD3698 Phase 2
0.6875 Remote Similarity NPD7339 Approved
0.6875 Remote Similarity NPD6942 Approved
0.679 Remote Similarity NPD6933 Approved
0.6753 Remote Similarity NPD6705 Phase 1
0.675 Remote Similarity NPD1811 Approved
0.675 Remote Similarity NPD1810 Approved
0.6709 Remote Similarity NPD4758 Discontinued
0.6705 Remote Similarity NPD7524 Approved
0.6667 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4748 Discontinued
0.6627 Remote Similarity NPD5364 Discontinued
0.6627 Remote Similarity NPD3671 Phase 1
0.6593 Remote Similarity NPD8035 Phase 2
0.6593 Remote Similarity NPD8034 Phase 2
0.6585 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6548 Remote Similarity NPD7645 Phase 2
0.6543 Remote Similarity NPD6926 Approved
0.6543 Remote Similarity NPD6924 Approved
0.6531 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6515 Remote Similarity NPD385 Approved
0.6515 Remote Similarity NPD384 Approved
0.65 Remote Similarity NPD6081 Approved
0.65 Remote Similarity NPD5777 Approved
0.6484 Remote Similarity NPD6700 Approved
0.6484 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6437 Remote Similarity NPD6695 Phase 3
0.6413 Remote Similarity NPD6702 Approved
0.6413 Remote Similarity NPD6703 Approved
0.6392 Remote Similarity NPD4159 Approved
0.6383 Remote Similarity NPD7991 Discontinued
0.6375 Remote Similarity NPD2686 Approved
0.6375 Remote Similarity NPD2687 Approved
0.6375 Remote Similarity NPD2254 Approved
0.6374 Remote Similarity NPD5328 Approved
0.6364 Remote Similarity NPD4786 Approved
0.6364 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4243 Approved
0.6282 Remote Similarity NPD4224 Phase 2
0.625 Remote Similarity NPD4788 Approved
0.6237 Remote Similarity NPD6079 Approved
0.6222 Remote Similarity NPD3618 Phase 1
0.6222 Remote Similarity NPD8308 Discontinued
0.6186 Remote Similarity NPD7638 Approved
0.6173 Remote Similarity NPD7532 Clinical (unspecified phase)
0.617 Remote Similarity NPD4202 Approved
0.617 Remote Similarity NPD6399 Phase 3
0.6154 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7750 Discontinued
0.6145 Remote Similarity NPD4784 Approved
0.6145 Remote Similarity NPD4785 Approved
0.6139 Remote Similarity NPD6675 Approved
0.6139 Remote Similarity NPD6402 Approved
0.6139 Remote Similarity NPD5739 Approved
0.6139 Remote Similarity NPD7128 Approved
0.6139 Remote Similarity NPD6920 Discontinued
0.6136 Remote Similarity NPD3667 Approved
0.6122 Remote Similarity NPD7640 Approved
0.6122 Remote Similarity NPD7639 Approved
0.6111 Remote Similarity NPD7328 Approved
0.6111 Remote Similarity NPD7327 Approved
0.6098 Remote Similarity NPD7151 Approved
0.6098 Remote Similarity NPD7152 Approved
0.6098 Remote Similarity NPD7150 Approved
0.6095 Remote Similarity NPD8297 Approved
0.6092 Remote Similarity NPD6931 Approved
0.6092 Remote Similarity NPD6930 Phase 2
0.6092 Remote Similarity NPD7509 Discontinued
0.6082 Remote Similarity NPD7919 Phase 3
0.6082 Remote Similarity NPD4755 Approved
0.6082 Remote Similarity NPD7920 Phase 3
0.6067 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6067 Remote Similarity NPD3669 Approved
0.6055 Remote Similarity NPD7516 Approved
0.6049 Remote Similarity NPD6923 Approved
0.6049 Remote Similarity NPD6922 Approved
0.6038 Remote Similarity NPD8133 Approved
0.602 Remote Similarity NPD8088 Phase 1
0.6019 Remote Similarity NPD7320 Approved
0.6019 Remote Similarity NPD7115 Discovery
0.6019 Remote Similarity NPD6881 Approved
0.6019 Remote Similarity NPD6899 Approved
0.6019 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6 Remote Similarity NPD8294 Approved
0.6 Remote Similarity NPD7632 Discontinued
0.6 Remote Similarity NPD8377 Approved
0.5979 Remote Similarity NPD5221 Approved
0.5979 Remote Similarity NPD5222 Approved
0.5979 Remote Similarity NPD4697 Phase 3
0.5979 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5977 Remote Similarity NPD6929 Approved
0.5976 Remote Similarity NPD7144 Approved
0.5976 Remote Similarity NPD7143 Approved
0.5962 Remote Similarity NPD6373 Approved
0.5962 Remote Similarity NPD6372 Approved
0.596 Remote Similarity NPD4700 Approved
0.596 Remote Similarity NPD8418 Phase 2
0.596 Remote Similarity NPD5285 Approved
0.596 Remote Similarity NPD5286 Approved
0.596 Remote Similarity NPD4696 Approved
0.5946 Remote Similarity NPD8033 Approved
0.5946 Remote Similarity NPD8296 Approved
0.5946 Remote Similarity NPD8335 Approved
0.5946 Remote Similarity NPD8380 Approved
0.5946 Remote Similarity NPD8379 Approved
0.5946 Remote Similarity NPD8378 Approved
0.593 Remote Similarity NPD6932 Approved
0.5926 Remote Similarity NPD6940 Discontinued
0.5922 Remote Similarity NPD5701 Approved
0.5922 Remote Similarity NPD5697 Approved
0.5922 Remote Similarity NPD6412 Phase 2
0.5918 Remote Similarity NPD5173 Approved
0.5918 Remote Similarity NPD6083 Phase 2
0.5918 Remote Similarity NPD6084 Phase 2
0.5905 Remote Similarity NPD6883 Approved
0.5905 Remote Similarity NPD7102 Approved
0.5905 Remote Similarity NPD7290 Approved
0.59 Remote Similarity NPD5223 Approved
0.5895 Remote Similarity NPD7087 Discontinued
0.5888 Remote Similarity NPD4632 Approved
0.5882 Remote Similarity NPD5275 Approved
0.5882 Remote Similarity NPD386 Approved
0.5882 Remote Similarity NPD388 Approved
0.5882 Remote Similarity NPD4190 Phase 3
0.5865 Remote Similarity NPD6011 Approved
0.5865 Remote Similarity NPD8174 Phase 2
0.5859 Remote Similarity NPD4225 Approved
0.5851 Remote Similarity NPD4753 Phase 2
0.5851 Remote Similarity NPD6051 Approved
0.5849 Remote Similarity NPD6617 Approved
0.5849 Remote Similarity NPD6649 Approved
0.5849 Remote Similarity NPD6869 Approved
0.5849 Remote Similarity NPD6650 Approved
0.5849 Remote Similarity NPD8130 Phase 1
0.5849 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5849 Remote Similarity NPD6847 Approved
0.5842 Remote Similarity NPD5226 Approved
0.5842 Remote Similarity NPD4633 Approved
0.5842 Remote Similarity NPD5211 Phase 2
0.5842 Remote Similarity NPD5225 Approved
0.5842 Remote Similarity NPD5224 Approved
0.5824 Remote Similarity NPD3133 Approved
0.5824 Remote Similarity NPD3666 Approved
0.5824 Remote Similarity NPD3665 Phase 1
0.5821 Remote Similarity NPD367 Approved
0.581 Remote Similarity NPD6012 Approved
0.581 Remote Similarity NPD6014 Approved
0.581 Remote Similarity NPD4061 Clinical (unspecified phase)
0.581 Remote Similarity NPD8132 Clinical (unspecified phase)
0.581 Remote Similarity NPD6013 Approved
0.5804 Remote Similarity NPD7503 Approved
0.5795 Remote Similarity NPD6683 Phase 2
0.5795 Remote Similarity NPD4195 Approved
0.5794 Remote Similarity NPD6882 Approved
0.5784 Remote Similarity NPD5175 Approved
0.5784 Remote Similarity NPD4754 Approved
0.5784 Remote Similarity NPD5174 Approved
0.5773 Remote Similarity NPD7748 Approved
0.5769 Remote Similarity NPD7646 Clinical (unspecified phase)
0.5761 Remote Similarity NPD6893 Approved
0.5755 Remote Similarity NPD4634 Approved
0.5747 Remote Similarity NPD6925 Approved
0.5747 Remote Similarity NPD5776 Phase 2
0.5743 Remote Similarity NPD1700 Approved
0.5739 Remote Similarity NPD7507 Approved
0.573 Remote Similarity NPD7514 Phase 3
0.5729 Remote Similarity NPD7515 Phase 2
0.5728 Remote Similarity NPD5141 Approved
0.5714 Remote Similarity NPD6059 Approved
0.5714 Remote Similarity NPD6054 Approved
0.5714 Remote Similarity NPD6319 Approved
0.5714 Remote Similarity NPD6415 Discontinued
0.5699 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5682 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5682 Remote Similarity NPD7145 Approved

Structure

External Identifiers

PubChem CID   11477133
ChEMBL   CHEMBL459486
ZINC  

Physicochemical Properties

Molecular Weight:  478.40
ALogP:  0.9692
MLogP:  4.32
XLogP:  8.43
# Rotatable Bonds:  17
Polar Surface Area:  69.92
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  34

Download Data

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