ID: 34000
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 34001
SMILES:C1CCC(=O)C(CCC(C)CCC)=C1Cc1c(C(=O)O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.923
InChIKey:QJADYNJILGFWSZ-UHFFFAOYSA-N
ID: 34002
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.611
InChIKey:UZBABWDLJQUNCM-UHFFFAOYSA-N
ID: 34003
SMILES:CC1(C)Oc2cc(CCCCC)c(C(OC)=O)c3c2C2CC(C)CCC21CC3CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.695
InChIKey:XKMTVVUBNBQKRK-UHFFFAOYSA-N
ID: 34004
SMILES:CC1(C=CC=C(C)C)Oc2c(O)c(OC)cc(CCCCC)c2C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.687
InChIKey:IAZXRJTWFCWHFG-UHFFFAOYSA-N
ID: 34005
SMILES:c1(CC)c(C)c2c(cc1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -15.374
InChIKey:SFFTVVSICVMMQQ-UHFFFAOYSA-N
ID: 34006
SMILES:CC(CCc1c2c(cc(C)c1)OC(C)(C)C1C2CC(C)=CC1)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.923
InChIKey:LOEIWCZZRDBAIZ-UHFFFAOYSA-N
ID: 34007
SMILES:O=C(CC(C)=CCc1c(OC)cc(CCCCC)cc1O)OC(C)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.929
InChIKey:JFRWOJDFCBVWIT-UHFFFAOYSA-N
ID: 34008
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 34009
SMILES:CC(C(=O)C1CC(C)=CC2(C)C1c1c(O)cc(CCCCC)cc1OC2(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.306
InChIKey:YRVLBCWSATVKIL-UHFFFAOYSA-N
ID: 34010
SMILES:Cc1c(O)c2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -16.246
InChIKey:AXQXWHBISGBPKW-UHFFFAOYSA-N
ID: 34011
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 34012
SMILES:C1C2(C(C)(C)OC(=O)CC2)c2c(O)cc(C)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.305
CB1 binding score: -15.218
InChIKey:ACOMPPFMOAQLJO-UHFFFAOYSA-N
ID: 34013
SMILES:CC(C1C(O)C(O)C(C)=CC1c1c(O)cc(CCCCC)cc1OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.912
InChIKey:WANYVLQHKVXKCK-UHFFFAOYSA-N
ID: 34014
SMILES:O(C(=O)C)C1C2C(C)(C)CC3(C)C(c4c(O)cc(CCCCC)cc4OC13)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.078
InChIKey:ZBPKZEKCJWCFSS-UHFFFAOYSA-N
ID: 34015
SMILES:c1(O)c2c(cc(COc3c(O)cc(C)c4c3CC(C)C(C)O4)c1)OC(C)(C)C1CCC(C)C21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: Not available
InChIKey:JFIIEGXPEHYQRJ-UHFFFAOYSA-N
ID: 34016
SMILES:O(C)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.596
InChIKey:QDGCXLJFXAGKSO-UHFFFAOYSA-N
ID: 34017
SMILES:C1=Cc2c(cc(CCCCC)cc2O)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 34018
SMILES:C1c2c(c(C(=O)CC(=C)C)c(O)cc2)OC(C)(C)C1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.729
InChIKey:NFDXKEOFNUUODB-UHFFFAOYSA-N
ID: 34019
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(O2)C(C)(C)Oc2c1c(O)c(-c1c(O)c3c(cc1C)OC(C)(C)C1C3C=C(C)CC1)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 626.834
CB1 binding score: -13.649
InChIKey:ZRCUROGDKXDOKL-UHFFFAOYSA-N
ID: 34020
SMILES:C1C=C(C)CCC2C(C)(C)Oc3c(c(OC)cc(C)c3)C2C2OC(=O)C(=C2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -13.031
InChIKey:QEZWSZOYQKOXCI-UHFFFAOYSA-N