ID: 58003
SMILES:O=C(C)Oc1cc2c3c(cc(CCCCC)c2)OC1C(C)C(CC=C(C)CCC=C(C)C)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -12.101
InChIKey:NFUOLDUMHYXSLG-UHFFFAOYSA-N
ID: 58004
SMILES:C1C=C(C)CCC=C(C)C(CO)Oc2c1c(C)ccc2CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.629
InChIKey:FTNMOSMRPJAPGU-UHFFFAOYSA-N
ID: 58005
SMILES:c1(C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 58006
SMILES:C(CCCC)c1cc2c(c(O)c1)C1=C(C(C)(C)O2)C(C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.069
InChIKey:WYUZQDOKUVLEIC-UHFFFAOYSA-N
ID: 58007
SMILES:C1c2c(OC(=O)C)cc(CCCCC)cc2OC(C)(CCC2=C(C)CCCC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -17.586
InChIKey:SAPHBSNNVMLDQY-UHFFFAOYSA-N
ID: 58008
SMILES:c1(CCC=CC)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.308
InChIKey:PKHGQMICFWGZJB-UHFFFAOYSA-N
ID: 58009
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1c2c(O)c(CC)c(O)c1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.904
InChIKey:PZBBSWIQZVAAQH-UHFFFAOYSA-N
ID: 58010
SMILES:C1(=O)c2c(c(C(O)=O)c(CCCCC)cc2O)OC(C)(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -17.325
InChIKey:WEZPCXWFZFULNQ-UHFFFAOYSA-N
ID: 58011
SMILES:C1=CCC23C(C)(C1CC=C(C)CCC(C(C)=CCC=C(C)C)O)Oc1cc(CCCCC)cc(O)c1C2O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.754
CB1 binding score: -17.79
InChIKey:XNEMJXYYUYFWJE-UHFFFAOYSA-N
ID: 58012
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.479
InChIKey:LBIQTJYHOQJYJR-UHFFFAOYSA-N
ID: 58013
SMILES:CC1=CC2C(CC1O)C(C)(C)Oc1cc(O)cc(C)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.679
InChIKey:GXWMNRUQQRNWJN-UHFFFAOYSA-N
ID: 58014
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 58015
SMILES:C(C)(C)CCCC(O)(C)c1cc(O)c2c(c1)OC(C)(C)C(O)C2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.444
CB1 binding score: -14.093
InChIKey:TVAMHIDYOZNDGH-UHFFFAOYSA-N
ID: 58016
SMILES:C(C)(C(=O)c1c(O)c2c(cc1OC)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.824
InChIKey:WHKFILSMPAXSLV-UHFFFAOYSA-N
ID: 58017
SMILES:C(CCC)CCCCCc1c(C(CCc2ccccc2)=O)c(OC)c(O)c2c1OC(C)(C)C1C2CC(C)(O)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.763
CB1 binding score: -16.42
InChIKey:QWMGBWTUQIGCOU-UHFFFAOYSA-N
ID: 58018
SMILES:Cc1c(O)c(CC=C(COC(=O)C)C)c2c(c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.515
InChIKey:AVDYZWOLIUGKGM-UHFFFAOYSA-N
ID: 58019
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 58020
SMILES:c1(OC)cc(CCCCC)cc2c1C1=CC(=CC)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.956
InChIKey:HXRVVOQBVCXTBB-UHFFFAOYSA-N
ID: 58021
SMILES:Cc1c(C(OC)=O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -16.115
InChIKey:BYFCVOKDHZYDED-UHFFFAOYSA-N
ID: 58022
SMILES:c1(CCC)c(O)c(OC)c2c(c1)-c1c(O)cc(O)c(CCCCC)c1OC(C)(C)C1CC=C(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.645
CB1 binding score: -16.305
InChIKey:PPLPQCNUFRCCBU-UHFFFAOYSA-N
ID: 58023
SMILES:C(=O)(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C(=O)OC)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16.003
InChIKey:AYNLIWVQLHWPAA-UHFFFAOYSA-N