ID: 77848
SMILES:c1c(CCCCCC)cc2c(c1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.225
InChIKey:IKCVLRKLCFLAPB-UHFFFAOYSA-N
ID: 77849
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)c1cc(O)c(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -16.979
InChIKey:HAZNHGCZSAUBNU-UHFFFAOYSA-N
ID: 77850
SMILES:C12=C(OC(C)(C)C3CCC(C)=CC31)CC=C2CC(C=C(C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -12.62
InChIKey:YWOKDTSUHKNOCD-UHFFFAOYSA-N
ID: 77851
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 77852
SMILES:OC1(C)C2CC=C(C)CC2c2c(OC)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.138
InChIKey:WAEBPOLTFIZISQ-UHFFFAOYSA-N
ID: 77853
SMILES:C1(C)=C(C(=O)C)CC2C(C)(C)Oc3c(c(O)cc(C)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -11.587
InChIKey:IOZVCAAJCRAZRZ-UHFFFAOYSA-N
ID: 77854
SMILES:C=C1CCC(C(C)=C)C(c2c(OC)ccc(CCCCC)c2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -12.964
InChIKey:QDWVJFJUOUMIRK-UHFFFAOYSA-N
ID: 77855
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.111
InChIKey:NNZKIQXQCYKKFL-UHFFFAOYSA-N
ID: 77856
SMILES:C1C(C)CCC(C(=C)C(=O)OC)C1COc1c(C(=O)O)cc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -16.577
InChIKey:RMVDZCOCGUOSDU-UHFFFAOYSA-N
ID: 77857
SMILES:C12c3c4cc(CCCCC)cc3OC(C)(C)C1CCC1(C)CC4C1(C(O)=O)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.877
InChIKey:JKKYWOGSLXMUJS-UHFFFAOYSA-N
ID: 77858
SMILES:c1c(CCCC)c(O)c(O)c2c1OC1(C)C3CC(C)(C)C3C2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -14.882
InChIKey:KITLQXJARKXWHB-UHFFFAOYSA-N
ID: 77859
SMILES:Oc1cc(O)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.561
InChIKey:RRHAEGQFRQNVHT-UHFFFAOYSA-N
ID: 77860
SMILES:c1(CCCCC)cc2c(c(OC)c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.885
InChIKey:RCKDZPBBVOKEAF-UHFFFAOYSA-N
ID: 77861
SMILES:c1c(CCCC(CO)C)cc(O)c2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.328
InChIKey:JKKPGQSVUANXOD-UHFFFAOYSA-N
ID: 77862
SMILES:C(c1cc(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.779
InChIKey:ZSDJPGLYWNHCIW-UHFFFAOYSA-N
ID: 77863
SMILES:C(c1c(O)cc(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 77864
SMILES:C1CC2(C)C(O)(C3C(c4c(cc(CCCCC)cc4O)O3)C(O)C2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.638
InChIKey:WNDYLGXVCDGVHA-UHFFFAOYSA-N
ID: 77865
SMILES:O=c1c(O)c(C2C=C(C)CCC2C(C)C)c(OC)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.839
InChIKey:JYKHHZGZNXYPPX-UHFFFAOYSA-N
ID: 77866
SMILES:O(c1c(C)cc(O)c(CC=C(CCC=C(C)C)C)c1)C(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.803
InChIKey:PEAVXEHUMHXIHB-UHFFFAOYSA-N
ID: 77867
SMILES:c1(CCCCC)cc2c(c(O)c1C=O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 77868
SMILES:CC(C)C1CCC(CO)=CC1c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.616
InChIKey:YJLNKQZBIIPWNP-UHFFFAOYSA-N