ID: 87445
SMILES:O1C(CC(C)C)C2C(C)CCC2C(C)(C)Oc2ccc3c(c21)C=CC(CCC=C(C)C)(C)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -15.864
InChIKey:NBSNUCRPUOZFGQ-UHFFFAOYSA-N
ID: 87446
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 87447
SMILES:CCCCCc1cc(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: 87448
SMILES:c1(C(=O)C)cc2c(cc1)OC(C)(C)C1C2CC(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -14.451
InChIKey:FVCBHCYJADGVCD-UHFFFAOYSA-N
ID: 87449
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 87450
SMILES:c1(O)c(CC=C(CCC=C(C)C)C)c(O)c(C(=O)O)c(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 87451
SMILES:CC1C(=O)C2C(C(C)(C)Oc3ccccc31)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.307
CB1 binding score: -13.196
InChIKey:UKILVBAGCVTUBC-UHFFFAOYSA-N
ID: 87452
SMILES:Oc1c(C(c2cccs2)=O)c2c(c(C=O)c1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.48
CB1 binding score: -14.575
InChIKey:VSMKPPDYHAUIRA-UHFFFAOYSA-N
ID: 87453
SMILES:C(CCC)COC(c1c(O)cc2c(c1)OC(C)(C)C1C2C=C(CO)CC1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.587
InChIKey:FOUXUNSAKYPEFZ-UHFFFAOYSA-N
ID: 87454
SMILES:N(CCc1ccc(C2C=C(C)CCC2C(C)=C)c(O)c1C(C)=O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 341.495
CB1 binding score: -15.379
InChIKey:ZGUCXEALAYOTMF-UHFFFAOYSA-N
ID: 87455
SMILES:c1(CCCCC)cc2c(c(O)c1)C1(C)C(O2)CC2C(C)(C)CCCC2(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.929
InChIKey:VIIBSSFRFIZNGO-UHFFFAOYSA-N
ID: 87456
SMILES:C12C(C)(C)CCCC1(C)Oc1c(c(O)cc(CCCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.73
InChIKey:FBZIYZQEKLBGBQ-UHFFFAOYSA-N
ID: 87457
SMILES:C(=C(C)C)CCC1(C)C2CCC(C)=CC2c2c(cccc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -16.737
InChIKey:FPZYCXNAPMMTPT-UHFFFAOYSA-N
ID: 87458
SMILES:C(CCC)Cc1cc(O)c(C)c(C2C(C(C)=C)CCC(C)=C2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.327
InChIKey:JXAKCJOVJSYODP-UHFFFAOYSA-N
ID: 87459
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(CC1)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -15.369
InChIKey:RNGVJBVNABEODG-UHFFFAOYSA-N
ID: 87460
SMILES:C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.77
InChIKey:IUIUEVJACWLHQQ-UHFFFAOYSA-N
ID: 87461
SMILES:C(CC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)=CC(C)(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -18.294
InChIKey:OUSRHASYFLXORS-UHFFFAOYSA-N
ID: 87462
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 87463
SMILES:C1(C)(C)C2CC(O)C(C)(O)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.774
InChIKey:GKYGKYSJIDSYCQ-UHFFFAOYSA-N
ID: 87464
SMILES:CC1(C)C2C(c3c(cc(CCCCC)c(C(=O)O)c3O)O1)C(O)Cc1cc(O)cc(c1O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.535
CB1 binding score: -14.583
InChIKey:DSNIXLDFQKZHLR-UHFFFAOYSA-N
ID: 87465
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N