ID: 55147
SMILES:C1(C(OC)=O)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 55148
SMILES:c12cc(CCCCC)cc(O)c1OC1(C2O)C(C)CCC2C1(C)CCC(C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.514
InChIKey:IQTRKGNAOQFJAQ-UHFFFAOYSA-N
ID: 55149
SMILES:c1(O)cc(C2C=C(C)CC(c3cc(CCN(C)C)ccc3OC)C2C(C)=C)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 405.582
CB1 binding score: -12.794
InChIKey:QGXYWHNNWSLCQY-UHFFFAOYSA-N
ID: 55150
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2(C#N)C(C)CC1)C(O)=NC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.439
CB1 binding score: -13.959
InChIKey:JTBNGMYBOQCQBC-UHFFFAOYSA-N
ID: 55151
SMILES:C1C2(C)C3(C(C(C)=CC3=O)C3c4c(O)cc(C)cc4O2)C1C(C(C)C)CC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -14.624
InChIKey:JNXVULZKHSIWSK-UHFFFAOYSA-N
ID: 55152
SMILES:c1(O)cc(CCCC)cc2c1C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.265
InChIKey:KTPDAZGMXXWSMU-UHFFFAOYSA-N
ID: 55153
SMILES:CCCCCc1c(C(=O)O)c(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 55154
SMILES:c1(C(C)=O)ccc(OC)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -15.742
InChIKey:LUUMGDQAJRKHFJ-UHFFFAOYSA-N
ID: 55155
SMILES:c1(O)ccc(CCC(O)C(=O)C=C)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.621
InChIKey:FSHOWHLWXUYWDQ-UHFFFAOYSA-N
ID: 55156
SMILES:c1(O)cc(CCCCC)c(-c2cc3c(cc2C)OC(C)(C)C=C3)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -15.727
InChIKey:RQNZIZPJCIECOO-UHFFFAOYSA-N
ID: 55157
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(CCC=C(C)CCC=C(C)C)(C)CC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.568
InChIKey:BZKPQULDLADYRW-UHFFFAOYSA-N
ID: 55158
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55159
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(OC(C)=O)cc(CCCCC)c3O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.979
InChIKey:CKZPDBXBZZAYHK-UHFFFAOYSA-N
ID: 55160
SMILES:[N+](=O)(c1ccc(O)c2c1OC(C)(C)C1C2CC(C)=CC(=O)C1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.349
CB1 binding score: -17.298
InChIKey:LQERPIGNIXEBQP-UHFFFAOYSA-O
ID: 55161
SMILES:O(c1cc(CCCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.562
CB1 binding score: -15.821
InChIKey:ATAIUVWAVKLOHE-UHFFFAOYSA-N
ID: 55162
SMILES:O1c2c(cc(CCCCC)cc2O)C(O)C2OC12C=CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -13.887
InChIKey:BPPJCGDCFDRJPK-UHFFFAOYSA-N
ID: 55163
SMILES:C12(CC(=O)C(C)=CC1)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.75
InChIKey:JXKDOZGWTBELED-UHFFFAOYSA-N
ID: 55164
SMILES:Oc1cc(CCCC)c(CC=C(C)CCC=C(C)C)c(O)c1C1OC(CO)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.573
CB1 binding score: -12.059
InChIKey:VVXDXGNJTWSODL-UHFFFAOYSA-N
ID: 55165
SMILES:O(CC1C(O)C(O)C(O)C(OC2C3C(c4c(cc(CCCCC)cc4O)O3)C=C(C)C2)O1)C(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.565
CB1 binding score: -12.006
InChIKey:SVCWFRUSCOGPHP-UHFFFAOYSA-N
ID: 55166
SMILES:C1(O)C(C)(C)Oc2cc(O)cc(CCCCC)c2C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -15.929
InChIKey:URAMDVWSZYVAFT-UHFFFAOYSA-N
ID: 55167
SMILES:C12C3CCCC1(C)CCCC2(c1c(O)cc(CCCCC)cc1O)C(=O)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.772
InChIKey:TXOYGDDJZZSCLG-UHFFFAOYSA-N