ID: 52417
SMILES:CC1(C)C=Cc2c(c(CCCCC)ccc2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.351
CB1 binding score: -15.519
InChIKey:FBIJIRGZDHQTNK-UHFFFAOYSA-N
ID: 52418
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.042
InChIKey:FNFYNDHHRPRLKW-UHFFFAOYSA-N
ID: 52419
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.404
InChIKey:VDAMXDQEAGSUAY-UHFFFAOYSA-N
ID: 52420
SMILES:c1c(OC)cc(C(C)C(C2CC(=O)OC2(C)C)=O)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -15.451
InChIKey:RHKQHKHHHOYQJY-UHFFFAOYSA-N
ID: 52421
SMILES:C1C2C(C(C)(C)Oc3c(C(C)=C)c(O)cc(CO)c31)CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.814
InChIKey:SAFBNERTZPTAEG-UHFFFAOYSA-N
ID: 52422
SMILES:O=Cc1c(O)cc2c(c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -17.81
InChIKey:CLZZKMPGTDWPPM-UHFFFAOYSA-N
ID: 52423
SMILES:CCCCCc1cc(O)c(C(O)=O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.86
InChIKey:WZTLWVKEFKJNLU-UHFFFAOYSA-N
ID: 52424
SMILES:O1C2(CCC1(C)O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -16.302
InChIKey:KYEVMVQYGHGTPS-UHFFFAOYSA-N
ID: 52425
SMILES:c12c(c(CCCC)cc(O)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -17.527
InChIKey:BXIAGXIJUJEVTA-UHFFFAOYSA-N
ID: 52426
SMILES:C1C2C(C)(C)Oc3c(cc(O)cc3)C2C=C(CCC=C(C)C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.921
InChIKey:JAXZMBXZPUNGFH-UHFFFAOYSA-N
ID: 52427
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 52428
SMILES:c12c(O)cc(CCCC)cc1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.265
InChIKey:KTPDAZGMXXWSMU-UHFFFAOYSA-N
ID: 52429
SMILES:CC(Br)(C)C1CCC(C)C2(Br)C1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.277
CB1 binding score: -15.101
InChIKey:DGAHGZKNONLYKC-UHFFFAOYSA-N
ID: 52430
SMILES:C1CC(C)(C)C2C(C)(Oc3c(c(OC)cc(CCCCC)c3)C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.738
InChIKey:DJNAMDKZRPWGEP-UHFFFAOYSA-N
ID: 52431
SMILES:C12(C(=O)C(C)C)c3c(c(OC)cc(CCCCC)c3O1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.578
InChIKey:HQOCWCIDMXLRES-UHFFFAOYSA-N
ID: 52432
SMILES:O(C(C(C)c1c(C(OC)=O)c(O)c(O)c2c1OC(C)(C)C1C2CC(C)=CC1)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.459
CB1 binding score: -12.769
InChIKey:TUEXSPHWFYUAMS-UHFFFAOYSA-N
ID: 52433
SMILES:C(C(C)C)CCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.964
InChIKey:NVOPEPXNFPWHIE-UHFFFAOYSA-N
ID: 52434
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)c1c2cc(C(O)=O)cc1C=CC(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -8.527
InChIKey:QDVNNIVBEZROLD-UHFFFAOYSA-N
ID: 52435
SMILES:C(CCCc1cc(OC)cc(O)c1)C(=O)C(=C)C1CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -11.756
InChIKey:ZGFOCCQANVMJPU-UHFFFAOYSA-N
ID: 52436
SMILES:C(c1c(OC)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.929
InChIKey:BXZGBAILRYHLMT-UHFFFAOYSA-N
ID: 52437
SMILES:C(=CCCC(C)=CCc1c(C)c2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 420.637
CB1 binding score: -14.536
InChIKey:UCXXSNNRTVMHSE-UHFFFAOYSA-N