ID: 47062
SMILES:CC(=CCCC(C(O)=O)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -17.36
InChIKey:IYRIVZDSSNIJSN-UHFFFAOYSA-N
ID: 47063
SMILES:c1(O)cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 47064
SMILES:C(C)(C1C(c2c(O)cc(CCCCC)cc2O)C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.474
CB1 binding score: -17.568
InChIKey:JNIQMTJWJHEOEN-UHFFFAOYSA-N
ID: 47065
SMILES:CC1(C)Oc2c(c3c(ccc(O)c3)c(O)c2)C2C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.393
CB1 binding score: -15.383
InChIKey:LPSQERLTPSZWFW-UHFFFAOYSA-N
ID: 47066
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(O)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 47067
SMILES:c1(C)c2c(cc(CCCC)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.804
InChIKey:GYMXERSNNPDKHU-UHFFFAOYSA-N
ID: 47068
SMILES:c1c(O)cc(C(C(O)=O)C2C(c3ccccc3)OC(C)(C)C2CC=C(CCC=C(C)C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.629
CB1 binding score: -15.771
InChIKey:LZKKUGRDCNWAQS-UHFFFAOYSA-N
ID: 47069
SMILES:C(c1c(O)c2c(c(C(=O)C(CC)C)c1)OC(C)(C)C1CCC(C)(O)C21)=CC(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -14.343
InChIKey:PSXOGJISYCNIOK-UHFFFAOYSA-N
ID: 47070
SMILES:c1(O)c(C2C(C(C)C)CCC(C)=C2)c(O)cc2c1C=CC(C)(CCC=C(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -17.377
InChIKey:JAPCTAXJOUQUEB-UHFFFAOYSA-N
ID: 47071
SMILES:c1(O)c(CC=C(CCC=C(C)C)C)c(O)c(C(OC)=O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 374.521
CB1 binding score: -19.567
InChIKey:RSOBBJCWWQRAAM-UHFFFAOYSA-N
ID: 47072
SMILES:C1OC2(c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC(C)=C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.438
InChIKey:IUAMDQBIZRAQPF-UHFFFAOYSA-N
ID: 47073
SMILES:C123CCC4(C)C1(Oc1c4c(O)cc(CCCCC)c1)OOC(=O)C2O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.379
CB1 binding score: -16.489
InChIKey:YHJSGTKDDPBHSU-UHFFFAOYSA-N
ID: 47074
SMILES:CCC1CC(O)C(C)(C)Oc2cc(CCC(=O)C=CCCC)ccc21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.208
InChIKey:RSWZQBZVQPSBOY-UHFFFAOYSA-N
ID: 47075
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 47076
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.929
InChIKey:IGXHGXINLFGJKW-UHFFFAOYSA-N
ID: 47077
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 47078
SMILES:C(=C(C)CCC=C(C(O)=O)C)CCC1(C)Oc2c(c(O)cc(CCCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.943
InChIKey:JFFXGHUYBMFFEI-UHFFFAOYSA-N
ID: 47079
SMILES:C1C2(C)C3=C(C(C)c4c(C5C=CC(=O)OC5(C)C)c(O)cc(O)c41)OC(C)(C)C(C2)C3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.52
CB1 binding score: -13.164
InChIKey:ZSXIURRBMPZPQB-UHFFFAOYSA-N
ID: 47080
SMILES:c1(C(C)C)cc(O)c2c(c1)OC(C)(CCC1C(CC)(C)Oc3c(c(C)cc(O)c3-2)C1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.7
CB1 binding score: -15.98
InChIKey:SYIZRMFYJRJWRH-UHFFFAOYSA-N
ID: 47081
SMILES:C(Cc1c(O)cc(C2C(C(O)(C)C)CCC(C)=C2)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.929
InChIKey:ZTPFXJOCCRITQD-UHFFFAOYSA-N
ID: 47082
SMILES:c12c(OC)cc(CCCC)cc1OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.853
InChIKey:IMIYMUXWVNHILX-UHFFFAOYSA-N