ID: 78961
SMILES:OCc1c(O)c(C)cc2c1C1C(C(C)(C)O2)CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 292.375
CB1 binding score: -14.874
InChIKey:UVOKWZFGDXFVEY-UHFFFAOYSA-N
ID: 78962
SMILES:CC(CC)C(O)c1c2c(c(O)c(CC=C(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.665
InChIKey:HBUGUWDPHAMGDN-UHFFFAOYSA-N
ID: 78963
SMILES:C1(OO)(C)CCC(C(=C)C)C1c1c(OC)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -16.116
InChIKey:MSSNTKYDDMTHGH-UHFFFAOYSA-N
ID: 78964
SMILES:CC(=CC1c2cc(CCCCC)cc(O)c2C2(C(C)CCC(C(C)=C)C2)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.056
InChIKey:JGFVPNWFHMAHDZ-UHFFFAOYSA-N
ID: 78965
SMILES:O1c2c(cc(CCCC=C)cc2)C=CC1(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -14.774
InChIKey:HAGNYAXWOHCZCM-UHFFFAOYSA-N
ID: 78966
SMILES:C1CC2C(=CC)C1C(C)(C)Oc1c2cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.963
InChIKey:WOHWQGSWEJSZAI-UHFFFAOYSA-N
ID: 78967
SMILES:C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC2(C)CCC(O)C(=C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.411
InChIKey:CMZKQCYIMASCNY-UHFFFAOYSA-N
ID: 78968
SMILES:CC1CCC(C(C)C)C(c2c(OC(=O)C)cc(-c3c(CCCCC)cc4c(c3O)OC(C)(C)C3C4CC(C)=CC3)nn2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 588.833
CB1 binding score: -16.751
InChIKey:AXSSMHHTBXFQMU-UHFFFAOYSA-N
ID: 78969
SMILES:CC1(C)C2=CC=C(C)CC2c2cc(CCCCC)cc(OC(C)=O)c2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -13.763
InChIKey:SFLDRWJDXCBSMV-UHFFFAOYSA-N
ID: 78970
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(=O)C12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.122
InChIKey:FXXAPPNASPLHTH-UHFFFAOYSA-N
ID: 78971
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.892
InChIKey:YCSIDAUWCFLSQK-UHFFFAOYSA-N
ID: 78972
SMILES:c1(O)cc(CCCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N
ID: 78973
SMILES:O(C)C(c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.122
InChIKey:GHQWHEOOZNZPEX-UHFFFAOYSA-N
ID: 78974
SMILES:O(C(=O)C(C)C)CC(C1=CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2)CC(C)=C1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -14.336
InChIKey:DRIYQFWBPMWBFE-UHFFFAOYSA-N
ID: 78975
SMILES:CC(C)C1C(C2C(=O)C3(Oc4c2c(O)cc(C)c4)C(C)CCC3)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.708
InChIKey:IKHJLXAVBQIGSI-UHFFFAOYSA-N
ID: 78976
SMILES:C(O)(C=C(C)C)CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.677
InChIKey:FYUMLDZFQYVKKK-UHFFFAOYSA-N
ID: 78977
SMILES:C1CC2C(=Cc3c(O)c(C(=O)O)c(CCC)cc3OC1(C)C)C(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -12.644
InChIKey:LZAGJFWHYSOENT-UHFFFAOYSA-N
ID: 78978
SMILES:C1c2c(O)cc(CCCCC)cc2OC(C(C)(O)C)CC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.418
CB1 binding score: -13.059
InChIKey:WJFNYOVFRZIKKR-UHFFFAOYSA-N
ID: 78979
SMILES:OC1C(O)C(Oc2c(CC=C(C)C)c(O)cc(CCCCC)c2)OC(CO)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.507
CB1 binding score: -17.229
InChIKey:DEJBVDPQQDKBBA-UHFFFAOYSA-N
ID: 78980
SMILES:CC1=CCC2C(C)(C)C1Oc1cc(CCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.327
InChIKey:ZRBPOFJZCMOUPU-UHFFFAOYSA-N
ID: 78981
SMILES:OC12Cc3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.638
InChIKey:GVCXPOFMKFEIEO-UHFFFAOYSA-N