ID: 58738
SMILES:C=CCc1c(C(O)=O)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -14.141
InChIKey:MWDDKVFJBNDEDM-UHFFFAOYSA-N
ID: 58739
SMILES:C(CCC)Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(-c2c(O)ccc(CC=C)c2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.632
CB1 binding score: -15.984
InChIKey:GOKKGULUDKKIAY-UHFFFAOYSA-N
ID: 58740
SMILES:C1C2(OC)OC(=O)C(CC3C(C)=CC(=O)C=C3C)=C2C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.601
CB1 binding score: -14.133
InChIKey:XQQPRTFVSLJMMQ-UHFFFAOYSA-N
ID: 58741
SMILES:C12(C(C)C)OC(O)(CCC1=O)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -14.505
InChIKey:HJNKZSFYURRFTF-UHFFFAOYSA-N
ID: 58742
SMILES:CC(C)=CCc1c(OC)c(C)cc(Oc2c(O)c(CCCC)c(C(=O)O)c3c2CC(O)C(C)(C)O3)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.616
CB1 binding score: -15.226
InChIKey:UGHAKEKIRBWKCB-UHFFFAOYSA-N
ID: 58743
SMILES:C(Br)C1(O)C(C)(CCC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 425.407
CB1 binding score: -16.747
InChIKey:ULXKPXZFJXSETB-UHFFFAOYSA-N
ID: 58744
SMILES:C(=O)(C(C(O)C(C)(O)C)O)c1c2c(c(O)c(C=O)c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.485
CB1 binding score: -11.814
InChIKey:QQDQLHOIAXQNBU-UHFFFAOYSA-N
ID: 58745
SMILES:C(C(OC)=O)=CCc1cc(O)c(C2C=C(C)C(O)CC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -15.859
InChIKey:OVLRORAYVNOXEG-UHFFFAOYSA-N
ID: 58746
SMILES:c1(O)c2c(cc(CCC)c1)OC(C)(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.74
InChIKey:LOTDDTUGTHRRKX-UHFFFAOYSA-N
ID: 58747
SMILES:C(C)(=CCCC(C)CC(c1cc(O)c(C2(O)CCC(O)CC2)c(O)c1)(CCC=C(C)C)OC(C)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.692
CB1 binding score: -15.705
InChIKey:VZQXPDTYNQMFFP-UHFFFAOYSA-N
ID: 58748
SMILES:C1CC(CC(CC(=C)C)O)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.132
InChIKey:UAWUTUWPMNVWKM-UHFFFAOYSA-N
ID: 58749
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 58750
SMILES:CC(CC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 298.47
CB1 binding score: -13.086
InChIKey:HDPUDWAEEXFLKK-UHFFFAOYSA-N
ID: 58751
SMILES:C(C)CCCCc1cc2c(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: 58752
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 58753
SMILES:Oc1cc(CCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.721
InChIKey:ULZHEUZUAQGXNB-UHFFFAOYSA-N
ID: 58754
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C2C1)CCCCCCCCCF
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.636
CB1 binding score: -12.899
InChIKey:LJAHBGQGUKCWPD-UHFFFAOYSA-N
ID: 58755
SMILES:C1CC2C(C=C1C)c1cc(C(=O)O)c(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.929
InChIKey:SPZFHXQXNFBOFY-UHFFFAOYSA-N
ID: 58756
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C3C1CCC(O)(C)C3(O)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.633
InChIKey:QNLIOWGIBJIMIN-UHFFFAOYSA-N
ID: 58757
SMILES:COC1=C(C)CC2c3c(O)cc(CCC)cc3OC(C1)C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.455
InChIKey:QIOKEFNMZFJRLH-UHFFFAOYSA-N
ID: 58758
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C(OC)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.485
InChIKey:DSQIFSTZOWZVKR-UHFFFAOYSA-N