ID: 127072
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CCC1C)CC(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.24
InChIKey:GJPSNMRODUYEKJ-UHFFFAOYSA-N
ID: 127073
SMILES:C1(=O)c2cc(CCCCC)cc(O)c2C2C(C(C)(C)O1)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.002
InChIKey:XSGJXMGFDWSXMD-UHFFFAOYSA-N
ID: 127074
SMILES:CC1(C)Oc2c(c(O)c(OC)c(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.277
InChIKey:WJABVLUXMBMMIO-UHFFFAOYSA-N
ID: 127075
SMILES:C12C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 127076
SMILES:c1(C2C=C(C)CCC2C(C)(C)O)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 127077
SMILES:C1C(C(O)(C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.168
InChIKey:BMEOABJGGIYLGA-UHFFFAOYSA-N
ID: 127078
SMILES:C1(C)C2CCC(C)C2C(CC(C)=C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -13.243
InChIKey:IAGFRIUAVBXNPM-UHFFFAOYSA-N
ID: 127079
SMILES:C12CC=C(C)CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 127080
SMILES:C=C1CC(O)C2C(C=C(CO)CCC1)c1c(ccc(CCCCCC)c1)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -16.166
InChIKey:KAMLKPBWFMSWPV-UHFFFAOYSA-N
ID: 127081
SMILES:CC(OC1C2Cc3c(c(COC(C)=O)c(OCCCC)cc31)OC2(C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -12.246
InChIKey:MTSPQVXHDZZEKK-UHFFFAOYSA-N
ID: 127082
SMILES:c1(C2C(C(C)=C)CC=C(C)CCC=C2C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.511
InChIKey:CBPXMZFMLPKTNY-UHFFFAOYSA-N
ID: 127083
SMILES:c1(OC)ccc(O)c(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.401
InChIKey:YRXZLRWBEYIBHE-UHFFFAOYSA-N
ID: 127084
SMILES:CCC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.264
InChIKey:SYYDPXCULGRHRI-UHFFFAOYSA-N
ID: 127085
SMILES:C(O)(c1c(O)c(C(O)=O)c(CCCCC)cc1OC(C)(C)C1CCC(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: Not available
InChIKey:IPCHJRJHKOVUGV-UHFFFAOYSA-N
ID: 127086
SMILES:C(C1C(O)c2c(O)cc(CCCCC)cc2OC1(C)C)CCC(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.502
InChIKey:QHXPAGMWYODBAL-UHFFFAOYSA-N
ID: 127087
SMILES:CC(C)=CCc1c(OC)cc(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.344
InChIKey:CKQSMVWAOLMBJX-UHFFFAOYSA-N
ID: 127088
SMILES:c1(CC(CC2C(C(C(CC(C)C)OC)=O)=CC(=O)C2C)O)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.714
CB1 binding score: -15.32
InChIKey:GRGYNNBDNSLVHM-UHFFFAOYSA-N
ID: 127089
SMILES:CC(C)(c1oc(=O)c2c(c1OC)CC1C3(C)C(C(O)CC1(C)C3C=C)C(C)(C)O2)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -16.218
InChIKey:OSSZHVHFZVEYSJ-UHFFFAOYSA-N
ID: 127090
SMILES:O1C(C)(C)C2CC(O)C(C)=CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 127091
SMILES:C(c1c(O)c2c(cc1C)OC(C)(C)c1c-2cc(C)cc1O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -13.064
InChIKey:LIKSJDUBBCSQGA-UHFFFAOYSA-N
ID: 127092
SMILES:C1c2c(c(O)cc(CCCCC)c2)C(=O)C2C(C)(C)CCCC12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.97
InChIKey:MEEFFZRRCMPYNS-UHFFFAOYSA-N