ID: 20749
SMILES:O1c2c(cc(CCCCC)cc2O)C2C(C)(CC(O)C3C(C)(C)OC4(OC(=O)C(C)=C4C)CC3)C2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.687
CB1 binding score: -12.705
InChIKey:SHOPBCYOSYOVAC-UHFFFAOYSA-N
ID: 20750
SMILES:CC1=CCCC(C)=CCc2c(C(O)=O)c(CCCO)cc3c2C(C1)C(C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -16.646
InChIKey:YDERSSJBHHSBFJ-UHFFFAOYSA-N
ID: 20751
SMILES:c1(=O)c(C)c(C2C=C(CO)CCC2C(C)C)cc(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -16.015
InChIKey:CGLPWLKMZLZYII-UHFFFAOYSA-N
ID: 20752
SMILES:O(c1c(O)cc2c(c1)OC(C)(C)C1CC=C(OC)CC12)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.08
InChIKey:HXVHLCLAFRDQPL-UHFFFAOYSA-N
ID: 20753
SMILES:CC1Oc2cc(CCCCC)c(C3C=C(C)CCC3C(C)(O)C)c2c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.861
InChIKey:PMRBDZSIVMVEEM-UHFFFAOYSA-N
ID: 20754
SMILES:c1(OC(=O)C)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 20755
SMILES:C(CCC)c1c(O)cc2c(c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.966
InChIKey:BFJHQJMKJYAZNT-UHFFFAOYSA-N
ID: 20756
SMILES:C1c2c(OC)cc(CCCCC)c(C(=O)O)c2OC(C)(C)C12CC=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.396
InChIKey:JIFHJAWZSOPIGU-UHFFFAOYSA-N
ID: 20757
SMILES:CC1(C)C2C(C)(c3c(OC)cc(CCCCC)cc3OC2C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -14.578
InChIKey:PQKZBHRIVWKLRC-UHFFFAOYSA-N
ID: 20758
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: 20759
SMILES:C(=O)(NCCc1ccc(OCCCC)cc1)C1=C(O)C2(Oc3c(c(OC)cc(CCCC=CCC)c3)C(C)C2)C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 575.79
CB1 binding score: -15.072
InChIKey:JEUUEDXAELIWMU-UHFFFAOYSA-N
ID: 20760
SMILES:C(C1(C)C(C)=CCC(=O)C1C)CC(C)=CCc1c(O)c(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.763
InChIKey:GYWXAPIRFRHZNW-UHFFFAOYSA-N
ID: 20761
SMILES:CC(=C)C1=CCC(C)=CC1c1c(O)cc(CC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -16.62
InChIKey:SQBDCXLOYMRHAB-UHFFFAOYSA-N
ID: 20762
SMILES:C(C(C)=CCCC1(C)Oc2c(CCCCC)cc(O)cc2C=C1)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -18.576
InChIKey:NHELTMDSPNDYML-UHFFFAOYSA-N
ID: 20763
SMILES:C(O)c1c(O)c(C)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.309
InChIKey:QIBVBLJCILSEII-UHFFFAOYSA-N
ID: 20764
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CO1)CC(=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.929
InChIKey:ZJAIMTQIQCNWLO-UHFFFAOYSA-N
ID: 20765
SMILES:O1c2ccc(CCCCC)cc2C2C=C3C(C)(CCC(C(C)(C)O)O3)C(=O)C2=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -17.427
InChIKey:RVDVSWVWINQOGN-UHFFFAOYSA-N
ID: 20766
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 20767
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1)C(C(C)(O)C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -16.365
InChIKey:NEGSTLOVPLZEMS-UHFFFAOYSA-N
ID: 20768
SMILES:Oc1c2c(cc(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.624
InChIKey:ZZWZWPVQXHMOQM-UHFFFAOYSA-N
ID: 20769
SMILES:c1(OC)c(C2C=C(C)CCC2C(=C)C)c(O)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.218
InChIKey:UZWBOVFGUISXLX-UHFFFAOYSA-N