ID: 13126
SMILES:C1(OC(=O)C(=CC)C)CC(O)(C)C2C3C1c1c(cc(CCCCC)cc1O)OC3(C)C(=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.551
CB1 binding score: -14.68
InChIKey:XPIBOZLHMZIAJL-UHFFFAOYSA-N
ID: 13127
SMILES:C(CCCCCC)C(c1cc(O)c(C2C(C(C)=C)CC=C(C)C2)cc1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.015
InChIKey:HZQSDMKDQTYURT-UHFFFAOYSA-N
ID: 13128
SMILES:C12C(CCC(C)=C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 13129
SMILES:C(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(CCC=C(C)C)(C)O2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.696
CB1 binding score: -16.156
InChIKey:SYZNOCCZESOOIA-UHFFFAOYSA-N
ID: 13130
SMILES:Oc1c2c(cc(CCCCC)c1)OC(CCCC(C)CC(=O)C=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -16.147
InChIKey:BRLHRVXGDJTEEU-UHFFFAOYSA-N
ID: 13131
SMILES:C(CCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.784
InChIKey:QPUHYZGLKQWEKI-UHFFFAOYSA-N
ID: 13132
SMILES:CC1=CC(c2c(C)c(O)c(=O)c(O)cc2CCCCC)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.239
InChIKey:GZGMDURZJXKMMS-UHFFFAOYSA-N
ID: 13133
SMILES:C1(C)(CCC=C(C)C)Oc2cc(CCC(OC)=O)cc(O)c2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -19.605
InChIKey:YWEZFTYJRNBABF-UHFFFAOYSA-N
ID: 13134
SMILES:Oc1cc2c(cc1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.07
InChIKey:LIEZPCZOEMYUIR-UHFFFAOYSA-N
ID: 13135
SMILES:COC(c1c(O)c2c(cc1C)OC(C)(C)C1CC3C(C)(CC1C=C(C)C2)O3)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.173
InChIKey:PHVIFWWDZBJBNJ-UHFFFAOYSA-N
ID: 13136
SMILES:CC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 13137
SMILES:C1=CC2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.016
InChIKey:VWBDIBVROJNAOP-UHFFFAOYSA-N
ID: 13138
SMILES:c1c(O)cc2c(=O)cc(-c3cc(O)cc4c3CCC(C)(CCC=C(COC(=O)C)CCC=C(C)C)O4)c(CCCC)c2o1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 588.741
CB1 binding score: -14.863
InChIKey:IQQCTGGFPXCEFD-UHFFFAOYSA-N
ID: 13139
SMILES:C(=O)(Cc1c2c(ccc1O)OC(C)(C)C1CCC(C)C(O)C21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -17.51
InChIKey:UPZIUYWFDBQQTM-UHFFFAOYSA-N
ID: 13140
SMILES:C(CCCC)c1cc(O)c2c(c1OC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.068
InChIKey:STNBJEFTZUCAKW-UHFFFAOYSA-N
ID: 13141
SMILES:c12c(c(OC)cc(C)c1)-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.356
CB1 binding score: -17.579
InChIKey:UEXVDOATPCCQRD-UHFFFAOYSA-N
ID: 13142
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 13143
SMILES:C12(C)C3(C(C)C(=O)C(C)(CC3)O1)Oc1c2cc(Br)c(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 407.348
CB1 binding score: -15.587
InChIKey:QAZBARCTYBEHHV-UHFFFAOYSA-N
ID: 13144
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(CCC=C(C)C)(C)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -19.284
InChIKey:GJHUUCABDYFFDB-UHFFFAOYSA-N
ID: 13145
SMILES:c1(CCCCC)cc2c(c(O)c1)-c1cc(C)ccc1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 13146
SMILES:c1(CC=C(C)C)c(O)c2c(c(O)c1C(C)(C)O)OC(C)(C)C1C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.817
InChIKey:JPDZAEPRWCWQLF-UHFFFAOYSA-N