ID: 104623
SMILES:C(Cc1cc(O)c(C2(C)OC(C)(C)CCC2)cc1)C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 290.447
CB1 binding score: -16.784
InChIKey:OZGOITORJSZNOJ-UHFFFAOYSA-N
ID: 104624
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C3(O)CC(C(=C)C)CCC(C)=CC3O1)CC(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: Not available
InChIKey:HBGBAENGGTUQHI-UHFFFAOYSA-N
ID: 104625
SMILES:O1C(C(C)=C)CCC1(C)C(CCC(=CCc1cc(O)cc(C)c1OC)C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.267
InChIKey:VCINRHSRLWZPOR-UHFFFAOYSA-N
ID: 104626
SMILES:C1CC(C)=CC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.211
InChIKey:JPUKUVZVEGROFO-UHFFFAOYSA-N
ID: 104627
SMILES:c12cc(CCCCC)cc(Br)c1c1c(cc2)OC(C)(C)C2CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 427.426
CB1 binding score: -15.847
InChIKey:MDJJHAUCNLNVAJ-UHFFFAOYSA-N
ID: 104628
SMILES:Cc1c2c(c(O)c3c1C1C=C(C)CCC1C(C)(C)O3)CC(C)CC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -17.211
InChIKey:FUPSNMKRRNPRRR-UHFFFAOYSA-N
ID: 104629
SMILES:Oc1c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 104630
SMILES:C1C(C)CC(c2c(O)cc(CCCCC)cc2O)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 104631
SMILES:C(C1=CC(c2c(O)cc(CCCCC)cc2O)OC1(C)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -14.635
InChIKey:XVGZGIKWASVZAI-UHFFFAOYSA-N
ID: 104632
SMILES:CC(CC)C(=O)c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.734
InChIKey:WKWUWXHWVSOMFB-UHFFFAOYSA-N
ID: 104633
SMILES:C1c2c(cc(C)cc2O)OC1(C)CCCC(OC)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -13.938
InChIKey:SAEZESBMDGOSSF-UHFFFAOYSA-N
ID: 104634
SMILES:C1c2c(O)cc(CCCCC)cc2OC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.758
InChIKey:BBSLEQVLKFGGIE-UHFFFAOYSA-N
ID: 104635
SMILES:C1(C)(C)C2C(c3c(cc(CCCCC)cc3OC)OC2C=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -11.316
InChIKey:TXCDDRXLIBLEPE-UHFFFAOYSA-N
ID: 104636
SMILES:C(C)(=O)OC(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -14.991
InChIKey:CMFLEYGTPFAIDG-UHFFFAOYSA-N
ID: 104637
SMILES:C1(Oc2cc(CCCCC)cc(C)c2O)C(C(O)(C)CCC=C(C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -13.214
InChIKey:UZXNORCHNWOBFK-UHFFFAOYSA-N
ID: 104638
SMILES:CC1(N(C)C=O)C2c3c(cccc3O)OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 289.375
CB1 binding score: -15.446
InChIKey:BLWOBHRSRBWCTQ-UHFFFAOYSA-N
ID: 104639
SMILES:Oc1c(C(OC)=O)c(CCCCC)cc2c1C1CC(C)(C)Oc3c(cc(O)c(CCCc4ccc(OC)cc4)c3)C1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 588.741
CB1 binding score: -15.719
InChIKey:ZDEVTQJDUDHKGM-UHFFFAOYSA-N
ID: 104640
SMILES:C1(C)=C2C(CC(CO)=CC1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.822
InChIKey:NXSGSEGPZJWQDW-UHFFFAOYSA-N
ID: 104641
SMILES:C(C)(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 104642
SMILES:Oc1c(C(C)C)cc(Cc2cc3c(c(O)c2)C2C=C(C)CCC2C(C)(C)O3)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -14.991
InChIKey:OEMZGXAVRNIYDM-UHFFFAOYSA-N
ID: 104643
SMILES:Cc1cc2c(c(O)c1)C1C=C(CO)C(OC(C)=O)CC1(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.395
CB1 binding score: -15.897
InChIKey:HVRYAOOXGYQPCO-UHFFFAOYSA-N