ID: 66445
SMILES:c12c(cc(O)cc1)OC(C)(C)C1CCC(C)=CC1CC(O)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.392
InChIKey:NCAYOXVYFDMMBU-UHFFFAOYSA-N
ID: 66446
SMILES:Cc1c(O)c(C)c(C)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.931
InChIKey:VSSYVVVXDFVSFN-UHFFFAOYSA-N
ID: 66447
SMILES:C12C(C(C)(C)Oc3c(CC=C(CO)CCC=C(C)C)cc(O)cc3OC)C(C)CC(CO)(O1)C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.665
CB1 binding score: -19.904
InChIKey:AHYKQEDPKBRELP-UHFFFAOYSA-N
ID: 66448
SMILES:C(CCC(C)=CCc1c(O)cc2c(c1OC)OC(C)(C)C1C2C=C(C(O)=O)CC1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -12.133
InChIKey:SFRJMEKTACMYMO-UHFFFAOYSA-N
ID: 66449
SMILES:C12C(C)(C(OC(=O)C)c3c(O)cc(C)cc3OC(CCC)=O)CCC(C(C)=C)C1(C)CC(=O)C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.633
CB1 binding score: -15.05
InChIKey:OJPVPHNPGODGGB-UHFFFAOYSA-N
ID: 66450
SMILES:CCCCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.048
InChIKey:FUZJMTMPVZRGQF-UHFFFAOYSA-N
ID: 66451
SMILES:Oc1cc(OC)c2c(c1)CC1C(CCC=C(C)C)(C)C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.425
InChIKey:BCLFRRJAZKOIBX-UHFFFAOYSA-N
ID: 66452
SMILES:C1(C(=C)C)C(c2c(O)cc(CC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.786
InChIKey:YURJBXYTSFIOOT-UHFFFAOYSA-N
ID: 66453
SMILES:C(c1ccc(O)cc1)=CC(OC(C1CC(C(=C)C)C(c2c(O)cc(CCCC)cc2O)O1)=O)(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.573
CB1 binding score: -14.498
InChIKey:UAVUZFIRDDTUIE-UHFFFAOYSA-N
ID: 66454
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.854
InChIKey:ZGNBDHDIIXUCDX-UHFFFAOYSA-N
ID: 66455
SMILES:O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.792
InChIKey:WHYWQKKPJPKIAC-UHFFFAOYSA-N
ID: 66456
SMILES:O=C1CC2(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.337
InChIKey:BNCLUFFZAJBCJS-UHFFFAOYSA-N
ID: 66457
SMILES:C1C=C(C)C2C1C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 244.334
CB1 binding score: -18.557
InChIKey:QRZMQPSOOQOOQS-UHFFFAOYSA-N
ID: 66458
SMILES:C1Oc2c3c(cc(CCC)c2)OC(C)(C)C2C3C=C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -15.341
InChIKey:WOBPKJCQBVDXAO-UHFFFAOYSA-N
ID: 66459
SMILES:C(CCCc1cc(O)c(O)c2c1OC(C(O)(C)CCC=C(CCC=C(C)C)C)C2)CCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.683
CB1 binding score: -16.018
InChIKey:JLRIZZQDUXCTQQ-UHFFFAOYSA-N
ID: 66460
SMILES:CCCCCc1cc(O)cc2c1C1=C(C(=O)C(C)(C)C2)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.837
InChIKey:DOUNLILPCKABCE-UHFFFAOYSA-N
ID: 66461
SMILES:O(C)c1cc(-c2ccc(C)cc2)c(O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -16.077
InChIKey:MSXKFIVUOKVSPT-UHFFFAOYSA-N
ID: 66462
SMILES:C1C=C(C)CC2c3c(O)cc(CCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 66463
SMILES:C(O)C(C1Oc2c(c(O)cc(CCCCC)c2)C1O)=CCC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.605
InChIKey:VYVHAFJZGCACAI-UHFFFAOYSA-N
ID: 66464
SMILES:C12C(C)C=CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.037
InChIKey:NOLPUPUOWSCBMP-UHFFFAOYSA-N
ID: 66465
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(O)CC2)CC(C(=C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.484
InChIKey:GNEUWLBKUCOAPZ-UHFFFAOYSA-N