Natural Product: NPC119229

Natural Product ID:  NPC119229
Common Name:   (-)-(1R,6R,7S,10R)-11-Oxocadinan-4-En-1-Ol
IUPAC Name:   (4aR,5R,8S,8aR)-4a-hydroxy-5-methyl-8-propan-2-yl-4,5,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
Synonyms:  
Molecular Formula:   C15H24O2
Standard InCHIKey:  DMCMOBXHHMUOPV-UQOMUDLDSA-N
Standard InCHI:  InChI=1S/C15H24O2/c1-10(2)13-5-4-11(3)15(17)7-6-12(9-16)8-14(13)15/h8-11,13-14,17H,4-7H2,1-3H3/t11-,13+,14+,15-/m1/s1
Canonical SMILES:  O=CC1=C[C@@H]2[C@](CC1)(O)[C@H](C)CC[C@H]2C(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
NPO29315 Dictyopteris divaricata Species Dictyotaceae Eukaryota PMID[15497933]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 10 ug/ml 12657259
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10 ug/ml 15568767
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 10 ug/ml 18183025
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 10 ug/ml 18474575
NPT547 Cell Line BGC-823 Homo sapiens IC50 > 10 ug/ml 26854381

  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 NPC119229 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
0.96 High Similarity NPC253561
0.96 High Similarity NPC80088
0.9103 High Similarity NPC472301
0.8889 High Similarity NPC470812
0.8846 High Similarity NPC207772
0.8831 High Similarity NPC186554
0.8831 High Similarity NPC76966
0.8765 High Similarity NPC64600
0.8471 Intermediate Similarity NPC474925
0.8471 Intermediate Similarity NPC206060
0.8471 Intermediate Similarity NPC473229
0.8415 Intermediate Similarity NPC470813
0.8391 Intermediate Similarity NPC99380
0.8354 Intermediate Similarity NPC472305
0.825 Intermediate Similarity NPC266193
0.825 Intermediate Similarity NPC34110
0.825 Intermediate Similarity NPC197659
0.825 Intermediate Similarity NPC257666
0.8214 Intermediate Similarity NPC251170
0.8171 Intermediate Similarity NPC476809
0.8161 Intermediate Similarity NPC472983
0.8161 Intermediate Similarity NPC472973
0.8148 Intermediate Similarity NPC62336
0.8148 Intermediate Similarity NPC19443
0.8125 Intermediate Similarity NPC470525
0.8125 Intermediate Similarity NPC7629
0.8125 Intermediate Similarity NPC242722
0.8125 Intermediate Similarity NPC151622
0.8118 Intermediate Similarity NPC70685
0.8095 Intermediate Similarity NPC66764
0.8095 Intermediate Similarity NPC297398
0.8095 Intermediate Similarity NPC110150
0.8072 Intermediate Similarity NPC473217
0.8072 Intermediate Similarity NPC473420
0.8068 Intermediate Similarity NPC191684
0.8068 Intermediate Similarity NPC134321
0.8068 Intermediate Similarity NPC183283
0.8068 Intermediate Similarity NPC128672
0.8049 Intermediate Similarity NPC470429
0.8046 Intermediate Similarity NPC158778
0.8046 Intermediate Similarity NPC328539
0.8025 Intermediate Similarity NPC470428
0.8023 Intermediate Similarity NPC179591
0.8023 Intermediate Similarity NPC472974
0.8022 Intermediate Similarity NPC5532
0.8022 Intermediate Similarity NPC469545
0.8022 Intermediate Similarity NPC61369
0.8 Intermediate Similarity NPC40687
0.8 Intermediate Similarity NPC472977
0.8 Intermediate Similarity NPC196227
0.8 Intermediate Similarity NPC472976
0.7978 Intermediate Similarity NPC472975
0.7978 Intermediate Similarity NPC472978
0.7978 Intermediate Similarity NPC172101
0.7978 Intermediate Similarity NPC116726
0.7955 Intermediate Similarity NPC275740
0.7955 Intermediate Similarity NPC86319
0.7955 Intermediate Similarity NPC119416
0.7952 Intermediate Similarity NPC469637
0.7952 Intermediate Similarity NPC172013
0.7952 Intermediate Similarity NPC2482
0.7931 Intermediate Similarity NPC472324
0.7927 Intermediate Similarity NPC476949
0.7927 Intermediate Similarity NPC59436
0.7927 Intermediate Similarity NPC178852
0.7912 Intermediate Similarity NPC473170
0.7901 Intermediate Similarity NPC263582
0.7901 Intermediate Similarity NPC239758
0.7882 Intermediate Similarity NPC307258
0.7875 Intermediate Similarity NPC78527
0.7865 Intermediate Similarity NPC328141
0.7857 Intermediate Similarity NPC226068
0.7857 Intermediate Similarity NPC121984
0.7857 Intermediate Similarity NPC90055
0.7841 Intermediate Similarity NPC471722
0.7841 Intermediate Similarity NPC143767
0.7841 Intermediate Similarity NPC131470
0.7831 Intermediate Similarity NPC281138
0.7831 Intermediate Similarity NPC283789
0.7831 Intermediate Similarity NPC308038
0.7826 Intermediate Similarity NPC192428
0.7821 Intermediate Similarity NPC469914
0.7816 Intermediate Similarity NPC477579
0.7816 Intermediate Similarity NPC94755
0.7816 Intermediate Similarity NPC235341
0.7816 Intermediate Similarity NPC95594
0.7802 Intermediate Similarity NPC471207
0.7802 Intermediate Similarity NPC103527
0.7802 Intermediate Similarity NPC471040
0.7791 Intermediate Similarity NPC476412
0.7778 Intermediate Similarity NPC168027
0.7778 Intermediate Similarity NPC185936
0.7766 Intermediate Similarity NPC112167
0.7765 Intermediate Similarity NPC70479
0.7765 Intermediate Similarity NPC93590
0.7753 Intermediate Similarity NPC184663
0.775 Intermediate Similarity NPC35656
0.7742 Intermediate Similarity NPC473456
0.7738 Intermediate Similarity NPC271104
0.7738 Intermediate Similarity NPC108955
0.7738 Intermediate Similarity NPC471514
0.7727 Intermediate Similarity NPC298904
0.7727 Intermediate Similarity NPC471792
0.7727 Intermediate Similarity NPC475740
0.7717 Intermediate Similarity NPC474602
0.7717 Intermediate Similarity NPC316215
0.7717 Intermediate Similarity NPC259286
0.7711 Intermediate Similarity NPC275494
0.7711 Intermediate Similarity NPC471409
0.7701 Intermediate Similarity NPC470574
0.7701 Intermediate Similarity NPC469948
0.7692 Intermediate Similarity NPC69454
0.7692 Intermediate Similarity NPC134826
0.7683 Intermediate Similarity NPC250621
0.7674 Intermediate Similarity NPC169941
0.7674 Intermediate Similarity NPC278648
0.7674 Intermediate Similarity NPC470165
0.7674 Intermediate Similarity NPC105173
0.7674 Intermediate Similarity NPC476082
0.7674 Intermediate Similarity NPC251475
0.7667 Intermediate Similarity NPC230332
0.7667 Intermediate Similarity NPC472476
0.7667 Intermediate Similarity NPC474209
0.7667 Intermediate Similarity NPC85173
0.7667 Intermediate Similarity NPC472325
0.7667 Intermediate Similarity NPC475823
0.7667 Intermediate Similarity NPC152467
0.766 Intermediate Similarity NPC114274
0.7654 Intermediate Similarity NPC470299
0.7654 Intermediate Similarity NPC22134
0.7647 Intermediate Similarity NPC116797
0.7647 Intermediate Similarity NPC55869
0.764 Intermediate Similarity NPC474677
0.764 Intermediate Similarity NPC472802
0.764 Intermediate Similarity NPC48107
0.7634 Intermediate Similarity NPC471039
0.7634 Intermediate Similarity NPC249954
0.7625 Intermediate Similarity NPC84790
0.7625 Intermediate Similarity NPC242992
0.7619 Intermediate Similarity NPC170394
0.7619 Intermediate Similarity NPC152061
0.7614 Intermediate Similarity NPC474732
0.7614 Intermediate Similarity NPC73038
0.7614 Intermediate Similarity NPC34190
0.7614 Intermediate Similarity NPC158393
0.7614 Intermediate Similarity NPC72133
0.7614 Intermediate Similarity NPC472985
0.7614 Intermediate Similarity NPC6979
0.7614 Intermediate Similarity NPC474733
0.7614 Intermediate Similarity NPC94666
0.7614 Intermediate Similarity NPC472986
0.7614 Intermediate Similarity NPC473226
0.7614 Intermediate Similarity NPC31564
0.7614 Intermediate Similarity NPC474778
0.7614 Intermediate Similarity NPC145879
0.7609 Intermediate Similarity NPC166906
0.7609 Intermediate Similarity NPC269729
0.7609 Intermediate Similarity NPC23170
0.7604 Intermediate Similarity NPC473424
0.76 Intermediate Similarity NPC282694
0.76 Intermediate Similarity NPC194208
0.76 Intermediate Similarity NPC79576
0.759 Intermediate Similarity NPC97377
0.7582 Intermediate Similarity NPC186363
0.7582 Intermediate Similarity NPC63748
0.7582 Intermediate Similarity NPC230064
0.7582 Intermediate Similarity NPC233345
0.7582 Intermediate Similarity NPC131872
0.7582 Intermediate Similarity NPC272746
0.7579 Intermediate Similarity NPC472972
0.7579 Intermediate Similarity NPC144956
0.7564 Intermediate Similarity NPC263161
0.7564 Intermediate Similarity NPC4370
0.7564 Intermediate Similarity NPC290350
0.7561 Intermediate Similarity NPC476795
0.7561 Intermediate Similarity NPC472256
0.7561 Intermediate Similarity NPC114236
0.7558 Intermediate Similarity NPC151519
0.7558 Intermediate Similarity NPC103486
0.7558 Intermediate Similarity NPC73882
0.7558 Intermediate Similarity NPC48362
0.7556 Intermediate Similarity NPC118011
0.7556 Intermediate Similarity NPC186688
0.7556 Intermediate Similarity NPC1015
0.7556 Intermediate Similarity NPC69627
0.7556 Intermediate Similarity NPC36668
0.7556 Intermediate Similarity NPC31985
0.7553 Intermediate Similarity NPC170131
0.7553 Intermediate Similarity NPC18509
0.7551 Intermediate Similarity NPC1679
0.7531 Intermediate Similarity NPC220939
0.7531 Intermediate Similarity NPC247586
0.7531 Intermediate Similarity NPC265485
0.7529 Intermediate Similarity NPC157895
0.7529 Intermediate Similarity NPC148685
0.7529 Intermediate Similarity NPC233352
0.7529 Intermediate Similarity NPC472478
0.7529 Intermediate Similarity NPC824
0.7529 Intermediate Similarity NPC104120
0.7529 Intermediate Similarity NPC138492

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119229 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
0.7978 Intermediate Similarity NPD6079 Approved
0.7955 Intermediate Similarity NPD5328 Approved
0.7826 Intermediate Similarity NPD4697 Phase 3
0.7816 Intermediate Similarity NPD3618 Phase 1
0.7634 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD5222 Approved
0.7634 Intermediate Similarity NPD5221 Approved
0.7579 Intermediate Similarity NPD5286 Approved
0.7579 Intermediate Similarity NPD4696 Approved
0.7579 Intermediate Similarity NPD5285 Approved
0.7558 Intermediate Similarity NPD3667 Approved
0.7553 Intermediate Similarity NPD4755 Approved
0.7553 Intermediate Similarity NPD5173 Approved
0.7529 Intermediate Similarity NPD4695 Discontinued
0.7528 Intermediate Similarity NPD3573 Approved
0.75 Intermediate Similarity NPD5223 Approved
0.75 Intermediate Similarity NPD4202 Approved
0.7436 Intermediate Similarity NPD7331 Phase 2
0.7423 Intermediate Similarity NPD5224 Approved
0.7423 Intermediate Similarity NPD4633 Approved
0.7423 Intermediate Similarity NPD5226 Approved
0.7423 Intermediate Similarity NPD5225 Approved
0.7423 Intermediate Similarity NPD5211 Phase 2
0.7416 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD4700 Approved
0.7391 Intermediate Similarity NPD7515 Phase 2
0.7386 Intermediate Similarity NPD3665 Phase 1
0.7386 Intermediate Similarity NPD4786 Approved
0.7386 Intermediate Similarity NPD3133 Approved
0.7386 Intermediate Similarity NPD3666 Approved
0.7356 Intermediate Similarity NPD4221 Approved
0.7356 Intermediate Similarity NPD4223 Phase 3
0.7347 Intermediate Similarity NPD5175 Approved
0.7347 Intermediate Similarity NPD5174 Approved
0.7308 Intermediate Similarity NPD7341 Phase 2
0.7273 Intermediate Similarity NPD5141 Approved
0.7234 Intermediate Similarity NPD7748 Approved
0.7222 Intermediate Similarity NPD5690 Phase 2
0.7191 Intermediate Similarity NPD4197 Approved
0.7174 Intermediate Similarity NPD4753 Phase 2
0.7172 Intermediate Similarity NPD4754 Approved
0.7129 Intermediate Similarity NPD5697 Approved
0.7111 Intermediate Similarity NPD1696 Phase 3
0.7111 Intermediate Similarity NPD5329 Approved
0.7059 Intermediate Similarity NPD6899 Approved
0.7059 Intermediate Similarity NPD6881 Approved
0.7059 Intermediate Similarity NPD6011 Approved
0.7059 Intermediate Similarity NPD4730 Approved
0.7059 Intermediate Similarity NPD4729 Approved
0.7059 Intermediate Similarity NPD5128 Approved
0.7033 Intermediate Similarity NPD4693 Phase 3
0.7033 Intermediate Similarity NPD4519 Discontinued
0.7033 Intermediate Similarity NPD4694 Approved
0.7033 Intermediate Similarity NPD4689 Approved
0.7033 Intermediate Similarity NPD4623 Approved
0.7033 Intermediate Similarity NPD4688 Approved
0.7033 Intermediate Similarity NPD5205 Approved
0.7033 Intermediate Similarity NPD5280 Approved
0.7033 Intermediate Similarity NPD4690 Approved
0.7033 Intermediate Similarity NPD5279 Phase 3
0.7033 Intermediate Similarity NPD4138 Approved
0.703 Intermediate Similarity NPD6402 Approved
0.703 Intermediate Similarity NPD5739 Approved
0.703 Intermediate Similarity NPD4767 Approved
0.703 Intermediate Similarity NPD4768 Approved
0.703 Intermediate Similarity NPD7128 Approved
0.703 Intermediate Similarity NPD6675 Approved
0.701 Intermediate Similarity NPD7902 Approved
0.7 Intermediate Similarity NPD3668 Phase 3
0.699 Remote Similarity NPD6014 Approved
0.699 Remote Similarity NPD6013 Approved
0.699 Remote Similarity NPD6012 Approved
0.6979 Remote Similarity NPD5210 Approved
0.6979 Remote Similarity NPD4629 Approved
0.6961 Remote Similarity NPD5701 Approved
0.6923 Remote Similarity NPD4634 Approved
0.6923 Remote Similarity NPD5250 Approved
0.6923 Remote Similarity NPD5247 Approved
0.6923 Remote Similarity NPD5135 Approved
0.6923 Remote Similarity NPD5248 Approved
0.6923 Remote Similarity NPD5249 Phase 3
0.6923 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7102 Approved
0.6923 Remote Similarity NPD6883 Approved
0.6923 Remote Similarity NPD5251 Approved
0.6923 Remote Similarity NPD7290 Approved
0.6923 Remote Similarity NPD5169 Approved
0.6897 Remote Similarity NPD3617 Approved
0.6893 Remote Similarity NPD5168 Approved
0.6893 Remote Similarity NPD7320 Approved
0.6857 Remote Similarity NPD6649 Approved
0.6857 Remote Similarity NPD6847 Approved
0.6857 Remote Similarity NPD6617 Approved
0.6857 Remote Similarity NPD5217 Approved
0.6857 Remote Similarity NPD6650 Approved
0.6857 Remote Similarity NPD6869 Approved
0.6857 Remote Similarity NPD5127 Approved
0.6857 Remote Similarity NPD5215 Approved
0.6857 Remote Similarity NPD8130 Phase 1
0.6857 Remote Similarity NPD5216 Approved
0.6827 Remote Similarity NPD6373 Approved
0.6827 Remote Similarity NPD6372 Approved
0.6818 Remote Similarity NPD4195 Approved
0.6809 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6809 Remote Similarity NPD6101 Approved
0.6804 Remote Similarity NPD5695 Phase 3
0.6792 Remote Similarity NPD8297 Approved
0.6792 Remote Similarity NPD6882 Approved
0.6771 Remote Similarity NPD6399 Phase 3
0.6739 Remote Similarity NPD1694 Approved
0.6729 Remote Similarity NPD4632 Approved
0.6703 Remote Similarity NPD4788 Approved
0.6701 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6701 Remote Similarity NPD7900 Approved
0.6699 Remote Similarity NPD6008 Approved
0.6698 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6684 Approved
0.6667 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD7146 Approved
0.6667 Remote Similarity NPD6084 Phase 2
0.6667 Remote Similarity NPD5330 Approved
0.6667 Remote Similarity NPD6411 Approved
0.6667 Remote Similarity NPD5281 Approved
0.6667 Remote Similarity NPD5167 Approved
0.6667 Remote Similarity NPD7521 Approved
0.6667 Remote Similarity NPD7334 Approved
0.6667 Remote Similarity NPD6409 Approved
0.6667 Remote Similarity NPD4691 Approved
0.6667 Remote Similarity NPD5284 Approved
0.6632 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6629 Remote Similarity NPD7645 Phase 2
0.6606 Remote Similarity NPD6274 Approved
0.66 Remote Similarity NPD5696 Approved
0.6598 Remote Similarity NPD5778 Approved
0.6598 Remote Similarity NPD5779 Approved
0.6593 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6562 Remote Similarity NPD4096 Approved
0.6559 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6556 Remote Similarity NPD7525 Registered
0.6556 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6552 Remote Similarity NPD6942 Approved
0.6552 Remote Similarity NPD7339 Approved
0.6548 Remote Similarity NPD4137 Phase 3
0.6545 Remote Similarity NPD6009 Approved
0.6545 Remote Similarity NPD6317 Approved
0.6526 Remote Similarity NPD4518 Approved
0.6526 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6526 Remote Similarity NPD6903 Approved
0.6526 Remote Similarity NPD6672 Approved
0.6526 Remote Similarity NPD5737 Approved
0.6486 Remote Similarity NPD6313 Approved
0.6486 Remote Similarity NPD6335 Approved
0.6486 Remote Similarity NPD6314 Approved
0.6484 Remote Similarity NPD4139 Approved
0.6484 Remote Similarity NPD4692 Approved
0.6471 Remote Similarity NPD4747 Approved
0.6465 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6455 Remote Similarity NPD6868 Approved
0.6437 Remote Similarity NPD4058 Approved
0.6436 Remote Similarity NPD4225 Approved
0.6436 Remote Similarity NPD7638 Approved
0.6429 Remote Similarity NPD7101 Approved
0.6429 Remote Similarity NPD7100 Approved
0.6429 Remote Similarity NPD5133 Approved
0.642 Remote Similarity NPD2664 Clinical (unspecified phase)
0.64 Remote Similarity NPD7614 Phase 1
0.6396 Remote Similarity NPD7115 Discovery
0.6373 Remote Similarity NPD7639 Approved
0.6373 Remote Similarity NPD7640 Approved
0.6372 Remote Similarity NPD6319 Approved
0.6372 Remote Similarity NPD6054 Approved
0.6364 Remote Similarity NPD6001 Approved
0.6354 Remote Similarity NPD5208 Approved
0.6316 Remote Similarity NPD5983 Phase 2
0.6316 Remote Similarity NPD6015 Approved
0.6316 Remote Similarity NPD6016 Approved
0.6316 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6296 Remote Similarity NPD368 Approved
0.6289 Remote Similarity NPD6673 Approved
0.6289 Remote Similarity NPD6904 Approved
0.6289 Remote Similarity NPD6080 Approved
0.6275 Remote Similarity NPD5290 Discontinued
0.6261 Remote Similarity NPD5988 Approved
0.6261 Remote Similarity NPD6370 Approved
0.625 Remote Similarity NPD5733 Approved
0.625 Remote Similarity NPD4687 Approved
0.625 Remote Similarity NPD6924 Approved
0.625 Remote Similarity NPD4784 Approved
0.625 Remote Similarity NPD4785 Approved
0.625 Remote Similarity NPD5091 Approved
0.625 Remote Similarity NPD6926 Approved
0.6228 Remote Similarity NPD6059 Approved
0.6224 Remote Similarity NPD5207 Approved
0.6224 Remote Similarity NPD5692 Phase 3
0.6207 Remote Similarity NPD4243 Approved
0.6207 Remote Similarity NPD7604 Phase 2
0.6207 Remote Similarity NPD5276 Approved
0.6196 Remote Similarity NPD4748 Discontinued
0.6182 Remote Similarity NPD6053 Discontinued

Structure

External Identifiers

PubChem CID   11390729
ChEMBL   CHEMBL462961
ZINC  

Physicochemical Properties

Molecular Weight:  236.18
ALogP:  0.5297
MLogP:  2.89
XLogP:  3.102
# Rotatable Bonds:  6
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

Download Data

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