ID: 131440
SMILES:C(=O)(OC(C=C(C)C)CC1(C)C2c3c(cc(C)c(Br)c3O)OC1C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.32
CB1 binding score: -15.82
InChIKey:KKHZYXTXHTYWEQ-UHFFFAOYSA-N
ID: 131441
SMILES:C=C1C23C(C(C)(C)Oc4cc5c(cc4)C(CC=C(C)C)C(=O)C25)C(C(C)C)(O1)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -14.605
InChIKey:RDMGJAJDKJKJKE-UHFFFAOYSA-N
ID: 131442
SMILES:O(c1cc(O)c2c(c1C(C(CC)C)=O)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.691
InChIKey:HGDBJEGBADOYDJ-UHFFFAOYSA-N
ID: 131443
SMILES:c1(O)cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.171
InChIKey:HFDMGJLGHZDMNB-UHFFFAOYSA-N
ID: 131444
SMILES:CC(=CCCC(C)C1C(c2cc(O)c(C3C=C(C)CCC3C(=C)C)c(O)c2)C(=O)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -14.335
InChIKey:DCPRLZRTKYBFJM-UHFFFAOYSA-N
ID: 131445
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 131446
SMILES:O(C(=O)C1(C)C2c3c(O)cc(CCC)cc3OC(C)(CCC1)C2O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -15.519
InChIKey:ABSBJXHDYLSSHK-UHFFFAOYSA-N
ID: 131447
SMILES:C(CC)CCc1c(C=C)c(O)c(O)c2c1OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.216
InChIKey:MOCVHKSLXXKSQV-UHFFFAOYSA-N
ID: 131448
SMILES:C(C)CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 131449
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)C(C(CCC=C(C)C)COC(C)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.371
InChIKey:ZCFIBUFKYKRCAG-UHFFFAOYSA-N
ID: 131450
SMILES:Brc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 351.24
CB1 binding score: -12.281
InChIKey:KAMMJYDRONLSBA-UHFFFAOYSA-N
ID: 131451
SMILES:OC(c1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1)C(CC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.007
InChIKey:ISEMDTSUHCXDJJ-UHFFFAOYSA-N
ID: 131452
SMILES:O=Cc1c(O)c2c(cc1CCCCCC)OC(C)(C)C1CCC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.232
InChIKey:NHZHSGYBESAVGE-UHFFFAOYSA-N
ID: 131453
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 131454
SMILES:c12c(cc(C)cc1O)OC(C)(C)C1C2CC(O)(C)C(OC(C2(C)C(C)O2)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -11.966
InChIKey:BBBFGUGQVWKGQN-UHFFFAOYSA-N
ID: 131455
SMILES:C(C)(=CCc1c(O)cc(CCCCC)cc1O)c1c(CC=C(C)C)c(O)c(C(=O)CCC)c([N+](O)=O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.651
CB1 binding score: -14.26
InChIKey:KJTUEIZGSXZXSJ-UHFFFAOYSA-O
ID: 131456
SMILES:C(c1cc(O)c(O)c2c1CC(O)C(CCC=C(C)C(=O)O)(C)O2)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.438
CB1 binding score: -15.12
InChIKey:ZIAXKJKTKUFEKM-UHFFFAOYSA-N
ID: 131457
SMILES:C1=C(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 131458
SMILES:C(CCCCc1cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.564
InChIKey:GFJBZJIMXMDCNY-UHFFFAOYSA-N
ID: 131459
SMILES:C(=C1CC(C)(C)CC2C1(O)c1c(cc(CCCCC)cc1O)OC2(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -12.219
InChIKey:UGXGJPOILMKKSH-UHFFFAOYSA-N
ID: 131460
SMILES:c1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
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