ID: 25033
SMILES:c1(O)c2c(c3c(c1)C(C)CO3)OC(C)(C)C1C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -12.826
InChIKey:OAAOPQKMOWAWFP-UHFFFAOYSA-N
ID: 25034
SMILES:Oc1c2c(c3c(c1)C(=O)OC3)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.354
CB1 binding score: -14.907
InChIKey:VUCMCXCYVBOXET-UHFFFAOYSA-N
ID: 25035
SMILES:C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.592
InChIKey:FOGWGMVFFVFHMT-UHFFFAOYSA-N
ID: 25036
SMILES:C1(C)=CC2Oc3c(c(OC)cc(CCCCCC)c3)C2C2OC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -12.363
InChIKey:KWEIJZAGJFAWPG-UHFFFAOYSA-N
ID: 25037
SMILES:CC1C2(Oc3c1c(O)cc(O)c3)C1(C)CC=C(CCC=C(C)C)C(C)(C)C1C=C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -14.605
InChIKey:KFPKATYNOAWDAG-UHFFFAOYSA-N
ID: 25038
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 25039
SMILES:OC(C1=Cc2c(c(C)cc(OC)c2)CC1C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -13.172
InChIKey:FVWJIEBMOFFUHD-UHFFFAOYSA-N
ID: 25040
SMILES:Oc1c(CCC)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.74
InChIKey:WMPVHVZYTGKORK-UHFFFAOYSA-N
ID: 25041
SMILES:C(CCc1cc(O)c2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.793
InChIKey:UOWOVZVZRNXVJO-UHFFFAOYSA-N
ID: 25042
SMILES:C12=CC(CC1)C(C)(C)Oc1cc(C)c(Br)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 293.204
CB1 binding score: -14.605
InChIKey:JYCAHWKQFWKBKL-UHFFFAOYSA-N
ID: 25043
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)CC(C)=CCCC(CCCc1cocc1)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: -15.065
InChIKey:BUKXEKIVEVOAAE-UHFFFAOYSA-N
ID: 25044
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1(O2)CCC(O)(C)C1CCC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -15.806
InChIKey:RWLQYCCNLIJWHY-UHFFFAOYSA-N
ID: 25045
SMILES:C(C)(C)=CC(O)CC1(C)Oc2cc(CCCCC)c(C(O)=O)c(O)c2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -16.502
InChIKey:VNEOEAUPTXZMNS-UHFFFAOYSA-N
ID: 25046
SMILES:COc1c(O)c2c(c3c1OC(C)(C)C1C3C=C(C)C(O)C1)OC(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.369
InChIKey:ZINCEXMWPOPTTI-UHFFFAOYSA-N
ID: 25047
SMILES:c1(OC)c(O)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.792
InChIKey:VDKAKXBXSAFIMF-UHFFFAOYSA-N
ID: 25048
SMILES:C1(C(C)=C)C(c2c(O)cc(CCC)cc2O)OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -16.264
InChIKey:FVIFJOBFNXNPBK-UHFFFAOYSA-N
ID: 25049
SMILES:c1c(O)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.716
InChIKey:MMMBBXWSLJXQAV-UHFFFAOYSA-N
ID: 25050
SMILES:Oc1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 25051
SMILES:C1CC(=O)c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -18.186
InChIKey:JNZZREXYRLIYDU-UHFFFAOYSA-N
ID: 25052
SMILES:C(CCCC)c1cc2c(c(C(OC)=O)c1)C1C(C(C)(C)O2)OC(CCC=C(C)C)(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.889
InChIKey:JOJQJWJAQUZIAD-UHFFFAOYSA-N
ID: 25053
SMILES:c1c(Cc2cc(C)cc(Br)c2C#CC(C)C)c(O)c(C2C(C(C)C)CCC(C)=C2)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 631.739
CB1 binding score: -16.437
InChIKey:XFWFQGCODBPVOF-UHFFFAOYSA-N