ID: 111112
SMILES:c1(-c2c(O)c(O)cc(CC=C)c2)cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.631
CB1 binding score: -15.008
InChIKey:IVZCCKJFDFKNAJ-UHFFFAOYSA-N
ID: 111113
SMILES:C(CCCc1cc2c(c(O)c1)C1=C(CCC(C)C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 111114
SMILES:CC(C)=CC(CC(C)=CCc1c(O)cc(CCCCC)c(C=O)c1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 358.478
CB1 binding score: -16.502
InChIKey:YIQLBWUOCLEQAQ-UHFFFAOYSA-N
ID: 111115
SMILES:C1C(O)C(C(OC)=O)=CC2C1C(C)(C)Oc1cc(O)c(CCCCC)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.541
InChIKey:XEBCSXCYUXYGAP-UHFFFAOYSA-N
ID: 111116
SMILES:c12c3c(co1)cc(CCCCC)cc3OC(C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.541
InChIKey:KQZMLJMVMYWOGL-UHFFFAOYSA-N
ID: 111117
SMILES:C12C(C)(C)Oc3c(c(O)cc(C)c3)C1C(OC)C(C=O)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -14.842
InChIKey:UEDAFFLFZBGOQZ-UHFFFAOYSA-N
ID: 111118
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(C)c3)C2C=C(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.328
InChIKey:IWHYDYORMMBLMI-UHFFFAOYSA-N
ID: 111119
SMILES:O=C1CCC(O)(C)C2C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.251
InChIKey:KKODRLMACXPROR-UHFFFAOYSA-N
ID: 111120
SMILES:C12(C)c3c(O)cc(CCCCC)cc3OC(C)(C)C1CC=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.425
InChIKey:FDLFYWSMIZLTQO-UHFFFAOYSA-N
ID: 111121
SMILES:C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.182
InChIKey:BVHRCZARADNROI-UHFFFAOYSA-N
ID: 111122
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(O)c1C(=O)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.177
InChIKey:GQKMWHXLTYNTBT-UHFFFAOYSA-N
ID: 111123
SMILES:C(Oc1c(O)cc(CCc2cc(O)c3c(c2)OC(C)(C)C2C(C3)C(O)(C)C(=O)C2)cc1OC)=C
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.546
CB1 binding score: -15.374
InChIKey:UUHHZAYFAYDELX-UHFFFAOYSA-N
ID: 111124
SMILES:c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 111125
SMILES:C1(C)(C)Oc2c(c(O)cc(Br)c2)C2C1CCC(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -16.502
InChIKey:QSOWXQPWBWPVGG-UHFFFAOYSA-N
ID: 111126
SMILES:Cc1c(OC)cc2c(c1)OC(C)(C)C1C2CC(=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.336
InChIKey:HMINITTYQWCXDU-UHFFFAOYSA-N
ID: 111127
SMILES:C12C(C1(C)C)Oc1cc(CCCCC)cc(O)c1C1C=C(COC(=O)C)CCC1C(O)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -16.519
InChIKey:KKWSQAHROQIYMP-UHFFFAOYSA-N
ID: 111128
SMILES:O1c2cc(CCCCC=CCCCCCCCC)cc(O)c2C2C1(C)CCCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -16.13
InChIKey:FPUKLOHVDGWLHZ-UHFFFAOYSA-N
ID: 111129
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C1OC1OC(CO)C(O)C(O)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.479
CB1 binding score: -16.608
InChIKey:RZXBJCJCTUFMRB-UHFFFAOYSA-N
ID: 111130
SMILES:c1(O)cc(CCC)cc2c1OC(C)(C)C1=C2C(=O)C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.338
InChIKey:HLXHFAPKBRFZMN-UHFFFAOYSA-N
ID: 111131
SMILES:c1c(C2C(C(C)=C)C(c3c(OC)ccc(CC[N+](C)(C)C)c3)C=C(C)C2)ccc(O)c1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.643
CB1 binding score: -13.267
InChIKey:JLVZELMFSIQSCT-UHFFFAOYSA-O
ID: 111132
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N