ID: 34546
SMILES:C1c2c(O)cc(C)cc2OC(C)(C)C1CCC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.929
InChIKey:WMZRONPGBWTLCA-UHFFFAOYSA-N
ID: 34547
SMILES:O=C(CCCCCCC)c1cc(O)c2c(c1CO)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.277
InChIKey:UJBGEONSVLMJPB-UHFFFAOYSA-N
ID: 34548
SMILES:c1c(CCCCC)c(O)cc2c1-c1ccccc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -14.337
InChIKey:ZEBMTTVJRCBABA-UHFFFAOYSA-N
ID: 34549
SMILES:Oc1ccc(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.171
InChIKey:HFDMGJLGHZDMNB-UHFFFAOYSA-N
ID: 34550
SMILES:C1(C)=CCC(C(C)=C)C(c2c3cc(c(=O)cc2OC)CC(C)(C)O3)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -13.893
InChIKey:ZWYBFBPJAWNSJT-UHFFFAOYSA-N
ID: 34551
SMILES:c1(O)c2c(c(C(C(C)C(C)OC(C)=O)=O)c(O)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.733
InChIKey:RFCQCFLPGFHGTA-UHFFFAOYSA-N
ID: 34552
SMILES:c1(O)cc(CCCCC)cc(O)c1CC1C(=C)CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.9
InChIKey:VTNSZNLTOUVMCA-UHFFFAOYSA-N
ID: 34553
SMILES:CC(Oc1cc2c(c(C)c1)C1CC(C)=CCC1C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.288
InChIKey:YCCKSRRPTDUMLB-UHFFFAOYSA-N
ID: 34554
SMILES:c1(CCCCCC)c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 308.418
CB1 binding score: -15.263
InChIKey:OBUWDVRBKHMUPO-UHFFFAOYSA-N
ID: 34555
SMILES:O=C(C)Oc1c2c(cc(CCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.842
InChIKey:YERDNYZDJIXHPC-UHFFFAOYSA-N
ID: 34556
SMILES:Oc1c(CC=C(C)C)c2c(c(C=C(C)C)c1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 382.544
CB1 binding score: -16.558
InChIKey:GBLYDOQUVOTASA-UHFFFAOYSA-N
ID: 34557
SMILES:C(CC(C(F)(F)C(=C)C)=C)CC(C)=CCc1cc(O)cc(C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.422
CB1 binding score: -13.472
InChIKey:AHWMCLYCCHMUOU-UHFFFAOYSA-N
ID: 34558
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC1(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.271
InChIKey:YXBSEYDXRGNTTN-UHFFFAOYSA-N
ID: 34559
SMILES:C12(C(OCC)=O)CCC(C)=CC1c1c(O)cc(C)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -16.151
InChIKey:NUAZMRVDPVNVKP-UHFFFAOYSA-N
ID: 34560
SMILES:c1(CCc2ccccc2)cc(O)c2c(c1C(C(C)C)=O)OC(C)(C)C1C2C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -14.687
InChIKey:GLZNYKWPEAXUQU-UHFFFAOYSA-N
ID: 34561
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(CCC=C(C)CCC=C(CO)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -17.065
InChIKey:HYLWFYPNOCXMAI-UHFFFAOYSA-N
ID: 34562
SMILES:C1(C)OC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C(O)C=C2CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -16.502
InChIKey:UHDBXZHEZFCWIK-UHFFFAOYSA-N
ID: 34563
SMILES:C(CCC)CCCc1c(C(=O)O)c(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -18.098
InChIKey:VMCAQDQQVPBUAX-UHFFFAOYSA-N
ID: 34564
SMILES:c1(C(=C)C)cc2c(c(CCc3cc(OC)ccc3)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.577
CB1 binding score: -13.711
InChIKey:SVICEUBNAJMUBX-UHFFFAOYSA-N
ID: 34565
SMILES:C1CC2C(C=C1C)C(C)(C)Oc1c2c(O)cc(O)c1C=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.656
InChIKey:SOSBWELOZOUHTO-UHFFFAOYSA-N
ID: 34566
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1(O)C(CC=C(C)C1)c1c-2cc(OC)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.539
CB1 binding score: -13.361
InChIKey:IPPUFJLBNMQVAC-UHFFFAOYSA-N