ID: 55462
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1(C)C)CC1C(C)(C)C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.765
InChIKey:LYRDAGWNBTWDQX-UHFFFAOYSA-N
ID: 55463
SMILES:O=C1OC2(c3c(cc(CCCCC)cc3O)OC3(C(C(C)C)=O)C(CCC(C)C32)OC)C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -15.645
InChIKey:ANHHGOFBHAGUJO-UHFFFAOYSA-N
ID: 55464
SMILES:C1(C)CC2C(C(C)(C)Oc3cc(O)cc(CCCCC)c32)C2CC(C)(O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.869
InChIKey:VHKVXQKRMJBVKF-UHFFFAOYSA-N
ID: 55465
SMILES:c1(OC)c(CCCCC)cc(O)c2c1OC(C)(C)C1=C2CC(C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.392
InChIKey:DZJHUFTWNNFJTI-UHFFFAOYSA-N
ID: 55466
SMILES:c1(CCCCC)c(C)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.856
InChIKey:VNACZUSHQSXMKX-UHFFFAOYSA-N
ID: 55467
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1(O)CCC(C)(O)C(O)C21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.536
CB1 binding score: -13.842
InChIKey:VHVQVNNJWXTOLL-UHFFFAOYSA-N
ID: 55468
SMILES:C1(C)(C)Oc2cc(C)c3c(c2C(C)C1)OC(C)(C)CC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.241
InChIKey:SVZSZIFJQJHSFI-UHFFFAOYSA-N
ID: 55469
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.712
CB1 binding score: -17.334
InChIKey:SAJONJXCFAUORE-UHFFFAOYSA-N
ID: 55470
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 55471
SMILES:O1C(C)(CCc2c(O)c(C)cc(O)c2)CCC(=O)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -13.389
InChIKey:LHRDYCRPTYXVPA-UHFFFAOYSA-N
ID: 55472
SMILES:C(Cc1cc(O)c2c(c1C(CCC=C(C)C)=O)OC(C)(C)C1C2CC(C)=CC1)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.753
InChIKey:LGDYMQMSLGEQQL-UHFFFAOYSA-N
ID: 55473
SMILES:c1(O)c(=O)c(O)c(CC=C(CCC=C(C)C)C)cc(O)c1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.05
InChIKey:ZAVJMAWZBAKZCV-UHFFFAOYSA-N
ID: 55474
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C)(C)C(CC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.579
CB1 binding score: -12.448
InChIKey:KBKZMVXREWIUIX-UHFFFAOYSA-N
ID: 55475
SMILES:c1(CCCC(C)CCC(C(C)=C)CCC(C)(O)C2C3C(CC4(C)CC(c5c(cc(CCC)cc5O)O4)O3)CCC2=C)ccccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 644.937
CB1 binding score: -15.107
InChIKey:FKFXJYFOZYLIHU-UHFFFAOYSA-N
ID: 55476
SMILES:c1(O)cc2c(cc1I)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.229
CB1 binding score: -10.871
InChIKey:QLKBBXLRUATYDY-UHFFFAOYSA-N
ID: 55477
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55478
SMILES:C(CCC)Cc1cc2c(c(O)c1)C(O)C1(C)C(C)CCC(C(=C)C)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.795
InChIKey:NBWRDXDLWXSBOU-UHFFFAOYSA-N
ID: 55479
SMILES:C(c1c(O)c(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.334
InChIKey:LIFIGNLFWIMGAU-UHFFFAOYSA-N
ID: 55480
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)CC1C(O)C)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.999
InChIKey:FZSVDHPPBLGLJB-UHFFFAOYSA-N
ID: 55481
SMILES:C(=CCCC(=CCc1c2c(cc(CCCCC)c1)C=CC(C)(C)O2)CO)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -15.202
InChIKey:PSQCNILRGIVJCH-UHFFFAOYSA-N
ID: 55482
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2=C(COC(=O)C)C(=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.157
InChIKey:OTGQLXRQJPFMBD-UHFFFAOYSA-N