ID: 105001
SMILES:c1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 105002
SMILES:c1(CCCCC)cc2c(cc1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 105003
SMILES:C(c1cc(O)c2c(c1)C1=C(CCC(C)C1)C(C)(C)O2)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.64
InChIKey:VRTMGYHOMSIIQT-UHFFFAOYSA-N
ID: 105004
SMILES:c1(C2C(C(C)C)CCC(C)=C2)c(O)cc(OC)c2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.273
InChIKey:XVFBINTZINGNOB-UHFFFAOYSA-N
ID: 105005
SMILES:CC(c1cc2c(c(OC(O)CC)c1)CC1CC(O)C(C)(C)OC1O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.455
CB1 binding score: -15.607
InChIKey:XHTVEWCZQWHJSI-UHFFFAOYSA-N
ID: 105006
SMILES:O1c2c(c(OC)cc(CCCC)c2)CC2C(C(CCC=C(C)C)C)CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.864
InChIKey:AKKZVELDWPPLDC-UHFFFAOYSA-N
ID: 105007
SMILES:c1(OC(C)=O)c(O)cc(C)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.397
InChIKey:GJGASPUZDCGEQJ-UHFFFAOYSA-N
ID: 105008
SMILES:Oc1cc(CC=C(C)CC2CC(C)=CCC(C(C)=C)CCC2=C)cc(O)c1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.664
CB1 binding score: -11.525
InChIKey:GMELTEPVQPLHAH-UHFFFAOYSA-N
ID: 105009
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(CO)(CCC=C(C)C)C(O2)CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -13.699
InChIKey:WIFZDDICVUSAME-UHFFFAOYSA-N
ID: 105010
SMILES:C(C(C(C=C(C)C)=O)O)(=CCCC1(C)C2c3c(cc(CCCCC)cc3O)OC2(C)CCC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -16.591
InChIKey:XEECAQJBJMGEDF-UHFFFAOYSA-N
ID: 105011
SMILES:C1C(CO)=CC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 105012
SMILES:C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 105013
SMILES:CC1(C)C2Oc3c(c(O)c(O)c(CCCCC)c3)C2CCC(=C)C(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -12.404
InChIKey:UINYGOMNDPUXOM-UHFFFAOYSA-N
ID: 105014
SMILES:CC(C1(Br)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 393.365
CB1 binding score: -15.839
InChIKey:UJFGDXIXBYMXQF-UHFFFAOYSA-N
ID: 105015
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.385
InChIKey:YYLPAYRRVSQJRR-UHFFFAOYSA-N
ID: 105016
SMILES:C1(=C(C)C)CC2C(C)(Oc3cc(C)cc(O)c31)CCC=C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -14.605
InChIKey:QFAFQMAQSZVTNJ-UHFFFAOYSA-N
ID: 105017
SMILES:C(c1c(OC)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.993
InChIKey:BXNNKUGKXKDVME-UHFFFAOYSA-N
ID: 105018
SMILES:C(=C)(C)C1Cc2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.207
InChIKey:DBFKDPJQRYVJFM-UHFFFAOYSA-N
ID: 105019
SMILES:c1(OC)cc(O)cc(CCC(=O)C2(CC=C(C)C)CC(O)C(C)(C)O2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -16.236
InChIKey:RDXPRVXWQNYMGE-UHFFFAOYSA-N
ID: 105020
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C1C(C=C(C)C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -15.068
InChIKey:VHETUYQJZGAROG-UHFFFAOYSA-N
ID: 105021
SMILES:CC(OCC1C(OC(=O)C)c2c(O)cc(CCc3ccc(O)c(O)c3)cc2OC1(CCC=C(C)CCC=C(C)C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.718
CB1 binding score: -14.078
InChIKey:LEHGGARXWKFWAJ-UHFFFAOYSA-N