ID: 24046
SMILES:CC1=CC(=C(C)C)CCC(C)C1Cc1c(O)c(O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.416
InChIKey:AHWRHKLPOFSGAH-UHFFFAOYSA-N
ID: 24047
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 24048
SMILES:CC(C)=CCCC(C)=CCc1c(O)c(C(C(O)C(C)C)=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.67
InChIKey:NOWSJWBMXZFBQE-UHFFFAOYSA-N
ID: 24049
SMILES:C1(O)C(O)(C)CC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.774
InChIKey:GKYGKYSJIDSYCQ-UHFFFAOYSA-N
ID: 24050
SMILES:O1C(C)(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.461
InChIKey:CFZQKUJVTUSPKQ-UHFFFAOYSA-N
ID: 24051
SMILES:CCC(C)CCc1c(C(OC)=O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.783
InChIKey:VIVHNJIZCVYYAB-UHFFFAOYSA-N
ID: 24052
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C(O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 24053
SMILES:C(C)(CCC=C(C)C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 24054
SMILES:C(Cc1cc(O)cc2c1OC(=O)C1c3c(cc4c(c3N)OC3(C4CC(C)(C)CC3)C(O)C2OC)O1)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 551.68
CB1 binding score: -15.348
InChIKey:VFBFKVVMIDOUPD-UHFFFAOYSA-N
ID: 24055
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 24056
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -16.591
InChIKey:XRMZGXBVOXFTKY-UHFFFAOYSA-N
ID: 24057
SMILES:C(CCCC)c1cc(O)c2c(c3c(c2O)OC(CCC=C(C)C)(C)C=C3)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -14.092
InChIKey:KLCTXWHOPPGTTQ-UHFFFAOYSA-N
ID: 24058
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 24059
SMILES:C(C(C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)CCC(O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -16.438
InChIKey:XXCAQRMUUNJNSX-UHFFFAOYSA-N
ID: 24060
SMILES:C1(C(C)C)=CCC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C3C2C1CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15
InChIKey:XLJJQNWJTFHMFX-UHFFFAOYSA-N
ID: 24061
SMILES:O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC12C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.127
InChIKey:MORVHFLQALCSJY-UHFFFAOYSA-N
ID: 24062
SMILES:CC1CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 24063
SMILES:CC12C=CC(C)(C)CC1c1c(O)cc(CCCCC)cc1OC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.332
InChIKey:JFGZLVWZAVRXCA-UHFFFAOYSA-N
ID: 24064
SMILES:O(c1cc(O)cc2c1C1C(CC=C(C)C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.527
InChIKey:QGMOAJVZFIQWPU-UHFFFAOYSA-N
ID: 24065
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 24066
SMILES:C1(=CCOCC=C(C)CCC=C(C)C)CC(C)CC(C)C1c1cc(O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.143
InChIKey:GMTLLXQYSRNDBI-UHFFFAOYSA-N