ID: 84988
SMILES:O=C(C)OCC1=CC2Oc3c(cc(CCc4cc(O)c(CC=C(C)CCC=C(C)C)c(O)c4)O3)CC2CC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.693
CB1 binding score: -16.972
InChIKey:JDTKAQDEFSVZHS-UHFFFAOYSA-N
ID: 84989
SMILES:CC(=C)C1C2c3c(O)cc(CCCCC)cc3OC(C)(C1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.742
InChIKey:FQXHQOYLNLLFEC-UHFFFAOYSA-N
ID: 84990
SMILES:C1(C)=CCC2C(C)C(=O)OC(c3c(O)cc(CCCCCC)cc3O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.33
InChIKey:XJMPPEQPXYWHRI-UHFFFAOYSA-N
ID: 84991
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 84992
SMILES:OC(=O)C1=CC2C(CC1)C(C)(C)Oc1cc(C(CCCCCCC)OC(C)=O)ccc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -12.011
InChIKey:MVWMXSWHDAYAKZ-UHFFFAOYSA-N
ID: 84993
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(C)C)C(O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.389
InChIKey:WMSYCQDQBCRHPY-UHFFFAOYSA-N
ID: 84994
SMILES:C(CC)C(Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)CCO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.471
InChIKey:IQTYXFYNRFXFBB-UHFFFAOYSA-N
ID: 84995
SMILES:Oc1c2c(c(C)c(C(=O)C=CC)c1)OC(CCC=C(C)C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -15.651
InChIKey:ZCYMLOVZQQYQCQ-UHFFFAOYSA-N
ID: 84996
SMILES:C12C(C)(C)C(=NO)CCC1(C)C(=O)CCC1C2Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 443.584
CB1 binding score: -14.413
InChIKey:XHCXQKHADYQRIF-UHFFFAOYSA-N
ID: 84997
SMILES:c1(CCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -18.028
InChIKey:HPIOBJRHEQPYEG-UHFFFAOYSA-N
ID: 84998
SMILES:Oc1c(C(=O)C=C(CCCC(C)=C)C)cc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.205
InChIKey:LTVFZICNEOTOBL-UHFFFAOYSA-N
ID: 84999
SMILES:C1(COC)CC=C(C(C)C)C1c1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.929
InChIKey:QLAUTJQVAHLWOW-UHFFFAOYSA-N
ID: 85000
SMILES:O(C)c1c2c(c(O)cc1CCCCC)OC(C)(C)C1CC=C(C)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.879
InChIKey:PVIXFPZBYVJLMG-UHFFFAOYSA-N
ID: 85001
SMILES:C(Cc1c(O)c2c(cc1OC)OC(C)(C)C1CC=C(C)CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.182
InChIKey:VESYRRRTDBKASW-UHFFFAOYSA-N
ID: 85002
SMILES:CC1(C)Oc2c(cc(O)cc2)C2C1CCC(CO)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -20.48
InChIKey:YHVSUBRHUHWIPQ-UHFFFAOYSA-N
ID: 85003
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(OC)c2C2C1CC(O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.5
InChIKey:RPLKKIAMEMEPBV-UHFFFAOYSA-N
ID: 85004
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 85005
SMILES:C(C)(C)C1CC=C(C)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.855
InChIKey:ZVJLNZVQQHJQRY-UHFFFAOYSA-N
ID: 85006
SMILES:CC(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C2C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.828
InChIKey:VWVYPBSOQKGBDL-UHFFFAOYSA-N
ID: 85007
SMILES:C(C)(=C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 85008
SMILES:O=S(C)(=O)OCC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.56
CB1 binding score: -16.064
InChIKey:ZOSLKGWYKBQNIM-UHFFFAOYSA-N