ID: 85387
SMILES:CC1=C(CCC(O)CCCC(=CCc2c(O)c(C)cc(O)c2)C)CCCC(C)CO1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.327
InChIKey:VNXNKWWYBCZEQV-UHFFFAOYSA-N
ID: 85388
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 85389
SMILES:Oc1cc(CCCCC)c(O)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 85390
SMILES:C(C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 85391
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1cc(CCCCC)cc(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 85392
SMILES:CC1(OC)CCC2C(C)(CCCC2(C)COC(C=Cc2ccc(O)cc2)=O)C12Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 576.774
CB1 binding score: -10.555
InChIKey:XUELKCAFLIHCLO-UHFFFAOYSA-N
ID: 85393
SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)C(O)CCC(C)=CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -15.978
InChIKey:HINHCLVJRAQPIV-UHFFFAOYSA-N
ID: 85394
SMILES:c1(O)c2c(cc(C(C)CCCC(C)C)c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.079
InChIKey:YEBIVBICXIMBKU-UHFFFAOYSA-N
ID: 85395
SMILES:C1C2(C)C(C(C)(C)CC1)C(c1c(O)cc(CCCCC)cc1O)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.058
InChIKey:IJPIOGGXESALSJ-UHFFFAOYSA-N
ID: 85396
SMILES:C1(CC=C(C)C)Oc2cc(CCCCC)cc(O)c2C2OC21C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.758
InChIKey:NNJQUTXQFFYBAK-UHFFFAOYSA-N
ID: 85397
SMILES:O=C(CCCCCCCCCCCC)OC1CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.699
CB1 binding score: -11
InChIKey:SMLPUMGJGQMPMD-UHFFFAOYSA-N
ID: 85398
SMILES:C(C(=O)OC1c2c(cc(CCCCC)cc2O)OC(C)(C)C1=C)=Cc1ccccc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.522
CB1 binding score: -15.116
InChIKey:JNYLJZDGAGTKQE-UHFFFAOYSA-N
ID: 85399
SMILES:COc1cc(O)c2c(c1C)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.438
InChIKey:RBZCEBNZUCRCNT-UHFFFAOYSA-N
ID: 85400
SMILES:c12c(cc(CCCCC)cc1O)OC(CCC=C(C)CC=CC(C)(O)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.149
InChIKey:HDNQIQWMOUJMEJ-UHFFFAOYSA-N
ID: 85401
SMILES:C1(=O)C(CO)=C2C(C(C)CC2)CC2(C)Oc3c(O)c(CCCCC)cc(O)c3C(C2=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -14.041
InChIKey:DAQBIRBBDSDWDM-UHFFFAOYSA-N
ID: 85402
SMILES:Oc1c2c(c(C(CCCCC)=O)c(O)c1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.929
InChIKey:IHHYCEXARHPFLL-UHFFFAOYSA-N
ID: 85403
SMILES:CC(CCC=C(C)C)(C=CCC(=CCc1c(OC(=O)C)c(C)cc(O)c1)CO)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -13.214
InChIKey:XWTPBKCHGHUDJU-UHFFFAOYSA-N
ID: 85404
SMILES:Oc1c(CC=C(C)CCC2(C)CCC=CC2=O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.583
InChIKey:DYSZOAMXRZJNKF-UHFFFAOYSA-N
ID: 85405
SMILES:C1(O)C(CO)OC(Oc2c(CC=C(C)C)c(O)cc(CCCC)c2)C(O)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.48
CB1 binding score: Not available
InChIKey:XFCFAGFCDVWWAH-UHFFFAOYSA-N
ID: 85406
SMILES:OCC(O)c1c(C)cc2c(c1COC(CC(C)C)=O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.39
InChIKey:GUEZSKZHWJJDMV-UHFFFAOYSA-N
ID: 85407
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N