ID: 37465
SMILES:c1(OC(C)=O)c2c(cc(O)c1)C1C(C(C)(C)O2)CCC(COC(=O)C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.406
CB1 binding score: -16.797
InChIKey:CNNFGCSMFJQWFA-UHFFFAOYSA-N
ID: 37466
SMILES:C1=C(C)CCC2Oc3c(c(O)cc(C)c3)C(C1=O)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -14.878
InChIKey:YIHJFWWQGSMETA-UHFFFAOYSA-N
ID: 37467
SMILES:C(CCC)Cc1cc(O)c(C2C(C(C)=C)CC=C(C(=O)O)C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.361
InChIKey:KRZMDSHYKCFSQZ-UHFFFAOYSA-N
ID: 37468
SMILES:C1C2(C)C3(C(C(C)=C1)Oc1c(c(O)cc(CCCCC)c1)C3C)C(C)(O)CCC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -12.394
InChIKey:LYMSWAXELKOUSW-UHFFFAOYSA-N
ID: 37469
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C(CCC1C(C)(C)O1)C)CCC(C(=O)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -11.21
InChIKey:MJBYUAFYPPBQJB-UHFFFAOYSA-N
ID: 37470
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.882
InChIKey:UEFGHYCIOXYTOG-UHFFFAOYSA-N
ID: 37471
SMILES:Cc1c(O)c2c(cc1CCC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.323
InChIKey:KKFGDFBVVMZWFQ-UHFFFAOYSA-N
ID: 37472
SMILES:CC(CCC=C(C)C)=CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -19.511
InChIKey:DZQJWXWSXUKYCL-UHFFFAOYSA-N
ID: 37473
SMILES:O=C1OC2(c3c(cc(CCCCC)cc3O)OC2)C2C1C(OC(C)=O)(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: Not available
InChIKey:YTYFRMMAPYBPNP-UHFFFAOYSA-N
ID: 37474
SMILES:C(C)(C)(O)CC1Oc2cc(CCCCC)cc(O)c2C=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -13.657
InChIKey:HSJRBPOAIKKXSJ-UHFFFAOYSA-N
ID: 37475
SMILES:C(Cc1cc2c(c(C(=O)c3ccccc3)c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.524
CB1 binding score: -14.099
InChIKey:DCWJYZFVCOXMHK-UHFFFAOYSA-N
ID: 37476
SMILES:O1C2(c3c(cc(CCCCC)cc3O)OC(C)(C)C2=C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.374
InChIKey:QIWBXMCNTXLXAD-UHFFFAOYSA-N
ID: 37477
SMILES:CC(C1=CCC(C)CC1c1c(O)ccc(CCC(=O)O)c1)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.184
InChIKey:MXNFEFYVAMGJBJ-UHFFFAOYSA-N
ID: 37478
SMILES:C(CC)=CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C(=O)O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.929
InChIKey:ZTEATQVNCOFOKN-UHFFFAOYSA-N
ID: 37479
SMILES:Oc1cc(C)cc2c1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.696
InChIKey:WNKDAZLOXAUXJL-UHFFFAOYSA-N
ID: 37480
SMILES:O=C(C(C)C(C(O)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1)O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -14.868
InChIKey:ZADPFQBDMXYHQP-UHFFFAOYSA-N
ID: 37481
SMILES:CC1(C)C2CCC(C)CC2(O)c2c(cc(C)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -15.643
InChIKey:CEJUAEUDLOUWGU-UHFFFAOYSA-N
ID: 37482
SMILES:C1CC(C(C)=C)C(c2c(O)cc(O)cc2C)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.798
InChIKey:KDZOUSULXZNDJH-UHFFFAOYSA-N
ID: 37483
SMILES:C(C(C)C)(Cc1c2c(c(O)cc1O)COC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.713
InChIKey:KUBSJWBNCOJVMO-UHFFFAOYSA-N
ID: 37484
SMILES:Cc1c(O)c2c(c(C(C)=O)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.642
InChIKey:FYQHMGNFWRVEJO-UHFFFAOYSA-N
ID: 37485
SMILES:CCCCCc1cc(O)c(CC=C(CCC=C(C)C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N