Natural Product: NPC269684

Natural Product ID:  NPC269684
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H48O4
Standard InCHIKey:  NNNRTJSRGAXLIH-MTSNUVQISA-N
Standard InCHI:  InChI=1S/C29H48O4/c1-24(2)19-10-14-28(7)20(26(19,5)13-11-21(24)30)9-8-18-23-29(32,17-16-27(18,28)6)15-12-22(33-23)25(3,4)31/h18-20,22-23,31-32H,8-17H2,1-7H3/t18-,19-,20-,22+,23-,26+,27-,28-,29-/m1/s1
Canonical SMILES:  O=C1CC[C@]2([C@@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@]1([C@@H]2O[C@@H](CC1)C(O)(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
NPO8087 Aglaia foveolata Species Meliaceae Eukaryota PMID[20939540]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT721 Individual Protein Nuclear factor NF-kappa-B p65 subunit Homo sapiens IC50 > 20000 nM 22148427
NPT139 Cell Line HT-29 Homo sapiens ED50 > 10 nM 19284743

  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 NPC269684 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
0.8506 High Similarity NPC18536
0.8506 High Similarity NPC50443
0.8506 High Similarity NPC472146
0.8506 High Similarity NPC185529
0.8462 Intermediate Similarity NPC81759
0.8276 Intermediate Similarity NPC476379
0.8256 Intermediate Similarity NPC80700
0.8235 Intermediate Similarity NPC34984
0.8235 Intermediate Similarity NPC25037
0.8228 Intermediate Similarity NPC68426
0.8228 Intermediate Similarity NPC282905
0.8228 Intermediate Similarity NPC477229
0.8171 Intermediate Similarity NPC243594
0.8171 Intermediate Similarity NPC31031
0.8161 Intermediate Similarity NPC202937
0.8161 Intermediate Similarity NPC470920
0.8148 Intermediate Similarity NPC108840
0.814 Intermediate Similarity NPC131350
0.8125 Intermediate Similarity NPC159325
0.8125 Intermediate Similarity NPC168511
0.8118 Intermediate Similarity NPC472744
0.8101 Intermediate Similarity NPC247195
0.8095 Intermediate Similarity NPC476071
0.8095 Intermediate Similarity NPC50658
0.8085 Intermediate Similarity NPC477172
0.8072 Intermediate Similarity NPC245029
0.8072 Intermediate Similarity NPC31302
0.8043 Intermediate Similarity NPC163685
0.8043 Intermediate Similarity NPC235109
0.8025 Intermediate Similarity NPC267753
0.8023 Intermediate Similarity NPC473299
0.8023 Intermediate Similarity NPC237938
0.8023 Intermediate Similarity NPC105895
0.8023 Intermediate Similarity NPC219535
0.8 Intermediate Similarity NPC121121
0.8 Intermediate Similarity NPC80640
0.7979 Intermediate Similarity NPC80417
0.7955 Intermediate Similarity NPC263802
0.7952 Intermediate Similarity NPC478084
0.7952 Intermediate Similarity NPC472608
0.7935 Intermediate Similarity NPC82633
0.7912 Intermediate Similarity NPC472147
0.7912 Intermediate Similarity NPC472148
0.7907 Intermediate Similarity NPC217559
0.7907 Intermediate Similarity NPC292458
0.7907 Intermediate Similarity NPC268578
0.7901 Intermediate Similarity NPC130011
0.7882 Intermediate Similarity NPC48756
0.7882 Intermediate Similarity NPC280781
0.7882 Intermediate Similarity NPC271572
0.7882 Intermediate Similarity NPC474870
0.7872 Intermediate Similarity NPC472144
0.7848 Intermediate Similarity NPC470833
0.7841 Intermediate Similarity NPC472745
0.7841 Intermediate Similarity NPC476727
0.7841 Intermediate Similarity NPC248216
0.7841 Intermediate Similarity NPC476726
0.7841 Intermediate Similarity NPC83242
0.7835 Intermediate Similarity NPC267637
0.7831 Intermediate Similarity NPC112463
0.7831 Intermediate Similarity NPC23884
0.7805 Intermediate Similarity NPC174964
0.7805 Intermediate Similarity NPC195155
0.7805 Intermediate Similarity NPC97534
0.7791 Intermediate Similarity NPC61107
0.7791 Intermediate Similarity NPC289486
0.7791 Intermediate Similarity NPC268040
0.7778 Intermediate Similarity NPC471459
0.7778 Intermediate Similarity NPC67653
0.7766 Intermediate Similarity NPC472145
0.7765 Intermediate Similarity NPC261616
0.7765 Intermediate Similarity NPC470609
0.7755 Intermediate Similarity NPC273189
0.7755 Intermediate Similarity NPC184805
0.7738 Intermediate Similarity NPC26029
0.7727 Intermediate Similarity NPC62572
0.7722 Intermediate Similarity NPC475977
0.7722 Intermediate Similarity NPC103647
0.7722 Intermediate Similarity NPC2568
0.7722 Intermediate Similarity NPC260319
0.7722 Intermediate Similarity NPC475893
0.7722 Intermediate Similarity NPC180777
0.7711 Intermediate Similarity NPC5767
0.7711 Intermediate Similarity NPC475742
0.7701 Intermediate Similarity NPC227170
0.7692 Intermediate Similarity NPC470114
0.7677 Intermediate Similarity NPC471430
0.7674 Intermediate Similarity NPC329490
0.7674 Intermediate Similarity NPC469745
0.7674 Intermediate Similarity NPC328639
0.7667 Intermediate Similarity NPC476435
0.7667 Intermediate Similarity NPC473319
0.7667 Intermediate Similarity NPC131104
0.7667 Intermediate Similarity NPC236459
0.7667 Intermediate Similarity NPC3032
0.7647 Intermediate Similarity NPC201276
0.7647 Intermediate Similarity NPC73013
0.7647 Intermediate Similarity NPC80891
0.764 Intermediate Similarity NPC472272
0.764 Intermediate Similarity NPC474448
0.764 Intermediate Similarity NPC474215
0.764 Intermediate Similarity NPC475729
0.7634 Intermediate Similarity NPC309127
0.7634 Intermediate Similarity NPC247877
0.7619 Intermediate Similarity NPC64081
0.7619 Intermediate Similarity NPC474574
0.7619 Intermediate Similarity NPC475031
0.7619 Intermediate Similarity NPC221420
0.7614 Intermediate Similarity NPC50438
0.7614 Intermediate Similarity NPC473336
0.7614 Intermediate Similarity NPC471044
0.7614 Intermediate Similarity NPC474996
0.7604 Intermediate Similarity NPC20028
0.7604 Intermediate Similarity NPC41843
0.7595 Intermediate Similarity NPC204233
0.759 Intermediate Similarity NPC159789
0.7586 Intermediate Similarity NPC154043
0.7586 Intermediate Similarity NPC60018
0.7586 Intermediate Similarity NPC477286
0.7586 Intermediate Similarity NPC286719
0.7586 Intermediate Similarity NPC202688
0.7579 Intermediate Similarity NPC472273
0.7579 Intermediate Similarity NPC272451
0.7579 Intermediate Similarity NPC471241
0.7579 Intermediate Similarity NPC470425
0.7576 Intermediate Similarity NPC119628
0.7576 Intermediate Similarity NPC477877
0.7576 Intermediate Similarity NPC158367
0.7576 Intermediate Similarity NPC158051
0.7564 Intermediate Similarity NPC260116
0.7561 Intermediate Similarity NPC232112
0.7558 Intermediate Similarity NPC472853
0.7553 Intermediate Similarity NPC17336
0.7551 Intermediate Similarity NPC225238
0.7551 Intermediate Similarity NPC107385
0.7551 Intermediate Similarity NPC34562
0.7529 Intermediate Similarity NPC34046
0.7529 Intermediate Similarity NPC324700
0.7529 Intermediate Similarity NPC171426
0.7529 Intermediate Similarity NPC224802
0.7529 Intermediate Similarity NPC80089
0.7527 Intermediate Similarity NPC291373
0.7527 Intermediate Similarity NPC474379
0.7526 Intermediate Similarity NPC54909
0.7526 Intermediate Similarity NPC233012
0.7526 Intermediate Similarity NPC178853
0.7525 Intermediate Similarity NPC87393
0.75 Intermediate Similarity NPC88337
0.75 Intermediate Similarity NPC475056
0.75 Intermediate Similarity NPC40716
0.75 Intermediate Similarity NPC475234
0.75 Intermediate Similarity NPC138219
0.75 Intermediate Similarity NPC477285
0.75 Intermediate Similarity NPC475211
0.75 Intermediate Similarity NPC77756
0.75 Intermediate Similarity NPC475630
0.75 Intermediate Similarity NPC111582
0.75 Intermediate Similarity NPC126753
0.7475 Intermediate Similarity NPC469827
0.7474 Intermediate Similarity NPC477264
0.7474 Intermediate Similarity NPC25848
0.7474 Intermediate Similarity NPC476728
0.7474 Intermediate Similarity NPC91439
0.7474 Intermediate Similarity NPC19376
0.7474 Intermediate Similarity NPC307282
0.7474 Intermediate Similarity NPC230151
0.7474 Intermediate Similarity NPC116683
0.7474 Intermediate Similarity NPC305464
0.7474 Intermediate Similarity NPC475785
0.7473 Intermediate Similarity NPC471221
0.7471 Intermediate Similarity NPC12933
0.7471 Intermediate Similarity NPC470154
0.7471 Intermediate Similarity NPC77311
0.7471 Intermediate Similarity NPC73515
0.7471 Intermediate Similarity NPC190940
0.747 Intermediate Similarity NPC74639
0.7451 Intermediate Similarity NPC470622
0.7451 Intermediate Similarity NPC66513
0.7449 Intermediate Similarity NPC471254
0.7449 Intermediate Similarity NPC80191
0.7449 Intermediate Similarity NPC470172
0.7449 Intermediate Similarity NPC310031
0.7447 Intermediate Similarity NPC296164
0.7447 Intermediate Similarity NPC277399
0.7444 Intermediate Similarity NPC120395
0.7442 Intermediate Similarity NPC477282
0.7442 Intermediate Similarity NPC81074
0.7442 Intermediate Similarity NPC220379
0.7439 Intermediate Similarity NPC131506
0.7439 Intermediate Similarity NPC89310
0.7439 Intermediate Similarity NPC156277
0.7439 Intermediate Similarity NPC290058
0.7439 Intermediate Similarity NPC157777
0.7439 Intermediate Similarity NPC127094
0.7439 Intermediate Similarity NPC58057
0.7439 Intermediate Similarity NPC157422
0.7439 Intermediate Similarity NPC151018
0.7439 Intermediate Similarity NPC100586
0.7439 Intermediate Similarity NPC109457
0.7439 Intermediate Similarity NPC320549

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC269684 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
0.759 Intermediate Similarity NPD3703 Phase 2
0.7529 Intermediate Similarity NPD6697 Approved
0.7529 Intermediate Similarity NPD6115 Approved
0.7529 Intermediate Similarity NPD6118 Approved
0.7529 Intermediate Similarity NPD6114 Approved
0.7439 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD6116 Phase 1
0.7407 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD6117 Approved
0.7284 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD5360 Phase 3
0.7184 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD4245 Approved
0.7108 Intermediate Similarity NPD4244 Approved
0.7087 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7748 Approved
0.7059 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD8035 Phase 2
0.7053 Intermediate Similarity NPD8034 Phase 2
0.7041 Intermediate Similarity NPD7902 Approved
0.7 Intermediate Similarity NPD371 Approved
0.6988 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3698 Phase 2
0.6905 Remote Similarity NPD4789 Approved
0.6875 Remote Similarity NPD7515 Phase 2
0.6824 Remote Similarity NPD4758 Discontinued
0.6824 Remote Similarity NPD5777 Approved
0.6782 Remote Similarity NPD3702 Approved
0.6774 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6759 Remote Similarity NPD8133 Approved
0.6742 Remote Similarity NPD5364 Discontinued
0.6742 Remote Similarity NPD3671 Phase 1
0.6735 Remote Similarity NPD7900 Approved
0.6735 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6727 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6707 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6633 Remote Similarity NPD8171 Discontinued
0.6628 Remote Similarity NPD6081 Approved
0.6627 Remote Similarity NPD4224 Phase 2
0.6593 Remote Similarity NPD6928 Phase 2
0.6559 Remote Similarity NPD3669 Approved
0.6559 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6542 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6522 Remote Similarity NPD1780 Approved
0.6522 Remote Similarity NPD1779 Approved
0.6522 Remote Similarity NPD8328 Phase 3
0.6509 Remote Similarity NPD6412 Phase 2
0.6348 Remote Similarity NPD6921 Approved
0.6339 Remote Similarity NPD6940 Discontinued
0.633 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6304 Remote Similarity NPD7645 Phase 2
0.63 Remote Similarity NPD6399 Phase 3
0.6292 Remote Similarity NPD1810 Approved
0.6292 Remote Similarity NPD1811 Approved
0.6262 Remote Similarity NPD6920 Discontinued
0.6211 Remote Similarity NPD4788 Approved
0.619 Remote Similarity NPD1700 Approved
0.6186 Remote Similarity NPD3618 Phase 1
0.6162 Remote Similarity NPD5328 Approved
0.6161 Remote Similarity NPD4632 Approved
0.6154 Remote Similarity NPD7638 Approved
0.6146 Remote Similarity NPD4786 Approved
0.6139 Remote Similarity NPD4202 Approved
0.6136 Remote Similarity NPD2686 Approved
0.6136 Remote Similarity NPD2687 Approved
0.6136 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6136 Remote Similarity NPD2254 Approved
0.6136 Remote Similarity NPD4787 Phase 1
0.6134 Remote Similarity NPD7507 Approved
0.6111 Remote Similarity NPD7128 Approved
0.6111 Remote Similarity NPD6675 Approved
0.6111 Remote Similarity NPD6402 Approved
0.6111 Remote Similarity NPD5739 Approved
0.6105 Remote Similarity NPD3667 Approved
0.6095 Remote Similarity NPD8418 Phase 2
0.6095 Remote Similarity NPD7639 Approved
0.6095 Remote Similarity NPD7640 Approved
0.6071 Remote Similarity NPD8297 Approved
0.6064 Remote Similarity NPD7525 Registered
0.6058 Remote Similarity NPD4755 Approved
0.6055 Remote Similarity NPD5954 Clinical (unspecified phase)
0.604 Remote Similarity NPD6079 Approved
0.6036 Remote Similarity NPD4634 Approved
0.6 Remote Similarity NPD6686 Approved
0.6 Remote Similarity NPD7115 Discovery
0.6 Remote Similarity NPD6881 Approved
0.6 Remote Similarity NPD7320 Approved
0.6 Remote Similarity NPD6899 Approved
0.5984 Remote Similarity NPD7319 Approved
0.5983 Remote Similarity NPD6059 Approved
0.5983 Remote Similarity NPD6054 Approved
0.5983 Remote Similarity NPD6319 Approved
0.5981 Remote Similarity NPD7632 Discontinued
0.596 Remote Similarity NPD3573 Approved
0.5946 Remote Similarity NPD6373 Approved
0.5946 Remote Similarity NPD6372 Approved
0.5943 Remote Similarity NPD4700 Approved
0.5943 Remote Similarity NPD5285 Approved
0.5943 Remote Similarity NPD5286 Approved
0.5943 Remote Similarity NPD4696 Approved
0.5909 Remote Similarity NPD5697 Approved
0.5909 Remote Similarity NPD5701 Approved
0.5902 Remote Similarity NPD7736 Approved
0.59 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5897 Remote Similarity NPD7516 Approved
0.5893 Remote Similarity NPD7102 Approved
0.5893 Remote Similarity NPD7290 Approved
0.5893 Remote Similarity NPD6883 Approved
0.5888 Remote Similarity NPD5223 Approved
0.5882 Remote Similarity NPD6370 Approved
0.5862 Remote Similarity NPD6009 Approved
0.5859 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5856 Remote Similarity NPD6415 Discontinued
0.5856 Remote Similarity NPD6011 Approved
0.5851 Remote Similarity NPD4238 Approved
0.5851 Remote Similarity NPD4802 Phase 2
0.5847 Remote Similarity NPD8377 Approved
0.5847 Remote Similarity NPD8294 Approved
0.5842 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5841 Remote Similarity NPD6847 Approved
0.5841 Remote Similarity NPD6649 Approved
0.5841 Remote Similarity NPD6869 Approved
0.5841 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5841 Remote Similarity NPD6650 Approved
0.5841 Remote Similarity NPD8130 Phase 1
0.5841 Remote Similarity NPD6617 Approved
0.5833 Remote Similarity NPD5226 Approved
0.5833 Remote Similarity NPD5211 Phase 2
0.5833 Remote Similarity NPD5225 Approved
0.5833 Remote Similarity NPD5224 Approved
0.5833 Remote Similarity NPD4633 Approved
0.5833 Remote Similarity NPD7604 Phase 2
0.5818 Remote Similarity NPD6008 Approved
0.5816 Remote Similarity NPD3666 Approved
0.5816 Remote Similarity NPD3133 Approved
0.5816 Remote Similarity NPD3665 Phase 1
0.5816 Remote Similarity NPD3668 Phase 3
0.5814 Remote Similarity NPD7909 Approved
0.5812 Remote Similarity NPD7328 Approved
0.5812 Remote Similarity NPD7327 Approved
0.581 Remote Similarity NPD4697 Phase 3
0.581 Remote Similarity NPD5221 Approved
0.581 Remote Similarity NPD5220 Clinical (unspecified phase)
0.581 Remote Similarity NPD5222 Approved
0.5804 Remote Similarity NPD6013 Approved
0.5804 Remote Similarity NPD6012 Approved
0.5804 Remote Similarity NPD6014 Approved
0.5798 Remote Similarity NPD6015 Approved
0.5798 Remote Similarity NPD5983 Phase 2
0.5798 Remote Similarity NPD6016 Approved
0.5798 Remote Similarity NPD8335 Approved
0.5798 Remote Similarity NPD8033 Approved
0.5798 Remote Similarity NPD8380 Approved
0.5798 Remote Similarity NPD8296 Approved
0.5798 Remote Similarity NPD8378 Approved
0.5798 Remote Similarity NPD8379 Approved
0.5789 Remote Similarity NPD6882 Approved
0.5785 Remote Similarity NPD7492 Approved
0.578 Remote Similarity NPD5175 Approved
0.578 Remote Similarity NPD5174 Approved
0.578 Remote Similarity NPD4754 Approved
0.5755 Remote Similarity NPD6084 Phase 2
0.5755 Remote Similarity NPD5173 Approved
0.5755 Remote Similarity NPD6083 Phase 2
0.575 Remote Similarity NPD5988 Approved
0.5738 Remote Similarity NPD6616 Approved
0.5738 Remote Similarity NPD6336 Discontinued
0.5727 Remote Similarity NPD5141 Approved
0.5714 Remote Similarity NPD7991 Discontinued
0.5702 Remote Similarity NPD6067 Discontinued
0.57 Remote Similarity NPD6409 Approved
0.57 Remote Similarity NPD5330 Approved
0.57 Remote Similarity NPD7334 Approved
0.57 Remote Similarity NPD7521 Approved
0.57 Remote Similarity NPD6684 Approved
0.57 Remote Similarity NPD7146 Approved
0.5691 Remote Similarity NPD7078 Approved
0.5691 Remote Similarity NPD8293 Discontinued
0.5686 Remote Similarity NPD4753 Phase 2
0.5684 Remote Similarity NPD3617 Approved
0.5679 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5676 Remote Similarity NPD4767 Approved
0.5676 Remote Similarity NPD4768 Approved
0.5645 Remote Similarity NPD6033 Approved
0.5644 Remote Similarity NPD7524 Approved
0.5612 Remote Similarity NPD4223 Phase 3
0.5612 Remote Similarity NPD4221 Approved
0.56 Remote Similarity NPD5329 Approved

Structure

External Identifiers

PubChem CID   50901039
ChEMBL   CHEMBL1651032
ZINC  

Physicochemical Properties

Molecular Weight:  460.36
ALogP:  1.2448
MLogP:  4.21
XLogP:  6.361
# Rotatable Bonds:  10
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  33

Download Data

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