ID: 10396
SMILES:C(C#C)(Cc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.302
InChIKey:USYZBRKRCFNBRH-UHFFFAOYSA-N
ID: 10397
SMILES:C1(C)=CCCC(=C)C2C(c3c(O)cc(CCCCC)cc3O2)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -15.136
InChIKey:RDQFHQBEEPNTDT-UHFFFAOYSA-N
ID: 10398
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 10399
SMILES:CC1=CC2C(C(C)(C)Oc3c4c(cc(O)c32)C(=N)C(O)=NC4O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.395
CB1 binding score: -15.589
InChIKey:KIEXSBXDFWOKQS-UHFFFAOYSA-N
ID: 10400
SMILES:C12(O)c3c(O)c(C(O)=O)c(CCC=CCC)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -12.841
InChIKey:JGBIYOFZPCJPBM-UHFFFAOYSA-N
ID: 10401
SMILES:C1(C)=CC(c2c(O)cc(C)cc2OCCCC)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.196
InChIKey:BDGRLNFRSMAFRD-UHFFFAOYSA-N
ID: 10402
SMILES:C12(C)Oc3cc(CCC)cc(O)c3C3C1C(C(C)C)(CC2)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -14.027
InChIKey:ZQPSJNALPWYGHP-UHFFFAOYSA-N
ID: 10403
SMILES:Oc1cc2c(cc1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.07
InChIKey:LIEZPCZOEMYUIR-UHFFFAOYSA-N
ID: 10404
SMILES:CC(=O)OC1C=C(C)CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.152
InChIKey:AQRXPQHIOXJISX-UHFFFAOYSA-N
ID: 10405
SMILES:C12C3(C)C(C(C(O)=O)(C)CC1)C2C(C)(O)Oc1cc(CCCCC)cc(O)c1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: Not available
InChIKey:LCWGDMSPHOCSRS-UHFFFAOYSA-N
ID: 10406
SMILES:C1(C)(CCC=C(C)C)Oc2c(ccc(CCCCC)c2)C2C=C(C(O)=O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.084
InChIKey:RJYAJVDTJQORKL-UHFFFAOYSA-N
ID: 10407
SMILES:O(c1c(CC=C(C)C)c(O)c(C(C(C)C)=O)c2c1C1C(CCC(CO)=C1)C(C)(C)O2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.677
CB1 binding score: -14.644
InChIKey:YOGGEGCDNVJJFJ-UHFFFAOYSA-N
ID: 10408
SMILES:C1(CCC(=O)C(C)(CCC(=CCc2c(O)cc(C)cc2OC(C)=O)C)C)=C(C)CCC(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -16.825
InChIKey:CLFZUCAIPCUCTF-UHFFFAOYSA-N
ID: 10409
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 10410
SMILES:Cc1c(Cl)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.806
CB1 binding score: -17.089
InChIKey:FTQZZLWTLIYGRW-UHFFFAOYSA-N
ID: 10411
SMILES:C1(=O)C2c3c(cc(CCC)cc3O)OC1(C)CCC2C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.004
InChIKey:ZLQDDUQMUXWJHO-UHFFFAOYSA-N
ID: 10412
SMILES:C(CC(C)C)c1cc(OC)c2c(c1)OC(C)(C)C1=CCC(O)(C)C(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.66
InChIKey:QBKYIWIUEKXKTK-UHFFFAOYSA-N
ID: 10413
SMILES:c12c(cc(CCCCCC)cc1O)OC(C)(C)c1c2c(C)ccc1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -15.288
InChIKey:CUKKZEQFEBBZIO-UHFFFAOYSA-N
ID: 10414
SMILES:C(=O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.059
InChIKey:IVRCBDVTRVUPTL-UHFFFAOYSA-N
ID: 10415
SMILES:C(C)CCc1cc(O)c2c(c1)OC(CCC=C(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: 10416
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N