ID: 97420
SMILES:c1(COC2OC(CO)C(O)C(O)C2O)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.517
CB1 binding score: -16.479
InChIKey:VSQMRHHUUJXKAL-UHFFFAOYSA-N
ID: 97421
SMILES:C(=O)(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -17.309
InChIKey:ZGZAYDNJXWVSHZ-UHFFFAOYSA-N
ID: 97422
SMILES:C1(O)C2C=C(C)C(=O)CC2C(C)CC1c1c(O)cc(CCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.999
InChIKey:QPKGKSDKVKNPSP-UHFFFAOYSA-N
ID: 97423
SMILES:C1C(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.783
InChIKey:XQANMOYOWRNVRD-UHFFFAOYSA-N
ID: 97424
SMILES:c1(O)cc(CCCCC)c(C=O)c(O)c1C1C(O)CC(O)(C)C2CC(C(=C)C)CCC21C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -15.996
InChIKey:YSHSBZBJROOVPD-UHFFFAOYSA-N
ID: 97425
SMILES:O1c2cc(CCCCC)cc(O)c2C2(C)CC1C(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -14.872
InChIKey:ZQAKJZDDMRKEGX-UHFFFAOYSA-N
ID: 97426
SMILES:c1c(O)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.529
InChIKey:WQXFMLNUWABCFK-UHFFFAOYSA-N
ID: 97427
SMILES:c12c(c(OCC)ccc1CO)C1C(C(C)(C)O2)CC(O)C(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -12.112
InChIKey:OPGVJRPKFOYEPJ-UHFFFAOYSA-N
ID: 97428
SMILES:C(CC(O)=O)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.344
InChIKey:LHOTXBHEVDXIOE-UHFFFAOYSA-N
ID: 97429
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)cc(CC(O)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.306
InChIKey:QJRQZQBJSJPOFD-UHFFFAOYSA-N
ID: 97430
SMILES:O=C(CCC(OC)=O)OCC1(C(OC)=O)C2=CCC(C)CC2c2c(O)cc(CCCCOC(=O)C=CCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 586.678
CB1 binding score: -16.17
InChIKey:UMLOIXASNLTOKV-UHFFFAOYSA-N
ID: 97431
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)c(C(=O)O)cc2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.718
InChIKey:BEMDFPISFCAMPJ-UHFFFAOYSA-N
ID: 97432
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)c(O)c(C=O)c3C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.496
CB1 binding score: -16.109
InChIKey:XBUPXROUVOUTFS-UHFFFAOYSA-N
ID: 97433
SMILES:C1CC(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.514
CB1 binding score: -16.929
InChIKey:RATBVXZMDHULMH-UHFFFAOYSA-N
ID: 97434
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 97435
SMILES:COc1c(C(C(C)C)=O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.824
InChIKey:WHKFILSMPAXSLV-UHFFFAOYSA-N
ID: 97436
SMILES:O1C2(c3c(cc(CCCCC)cc3O)OC1(C)C)OC(C=C)(C)CC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.805
InChIKey:IHCWGAFXCQLBBI-UHFFFAOYSA-N
ID: 97437
SMILES:C1CC(C)C2C3C1c1c(cc(CCCCC)cc1O)OC3(C)C(=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.437
InChIKey:VCRUDGBZCWAWEA-UHFFFAOYSA-N
ID: 97438
SMILES:C(C(C=O)=CC(C)C)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.727
InChIKey:FFDYGZNMJQJAKE-UHFFFAOYSA-N
ID: 97439
SMILES:c12c(O)cc(CCCCC)cc1OC1CC(C(C)(C=C)O)CC1(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.899
InChIKey:NHYDMYZQSKJCIF-UHFFFAOYSA-N
ID: 97440
SMILES:C(CCC)Cc1cc(O)cc(OC2C3(C)C(C)(C)C(=C)C(C3O)C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.058
InChIKey:JEJTXLHGCICIFU-UHFFFAOYSA-N