ID: 59536
SMILES:Oc1cc(CCCCC)c(OC)cc1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.244
InChIKey:GDCMXBNPYXPZLN-UHFFFAOYSA-N
ID: 59537
SMILES:C(CCCCCCCCCCC)Cc1cccc2c1C(=O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.696
CB1 binding score: -15.488
InChIKey:IHOSFXRZNBNOGQ-UHFFFAOYSA-N
ID: 59538
SMILES:C(C=C(C)C=Cc1c(C)c(C)c(O)c2c1OC(C)(C)C1CCC(C)=CC12)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -14.39
InChIKey:LSZWCVDSVZDQNV-UHFFFAOYSA-N
ID: 59539
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C=CC=C(C)C)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.281
InChIKey:GJYZWTYDIXKXMT-UHFFFAOYSA-N
ID: 59540
SMILES:C(CCCC)c1cc2c(c(O)c1)C1CC(C)(O2)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.402
InChIKey:LXADBAQHQWMXJF-UHFFFAOYSA-N
ID: 59541
SMILES:C(=O)(C1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 59542
SMILES:C(=CCCC1(C)Oc2cc(CCC)cc(O)c2CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.196
InChIKey:DFJQDSHPYZAGQZ-UHFFFAOYSA-N
ID: 59543
SMILES:C(C1(C)Oc2cc(C)c(Br)c(Cl)c2C2C=C(C)CCC12)CC=C(C)CCC=C(COC(CC)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.004
CB1 binding score: -12.717
InChIKey:NNBJOCDERDIMFT-UHFFFAOYSA-N
ID: 59544
SMILES:CC(=CCc1c(O)c2c(C=[N+](C)C)c(C(C)C(C)O)cc(CCC(C)=O)c2c2c1OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.799
CB1 binding score: -16.337
InChIKey:IEBWSNLJITUURM-UHFFFAOYSA-O
ID: 59545
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)c(O)c2)C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.633
InChIKey:VPRZVKMVWKCXDA-UHFFFAOYSA-N
ID: 59546
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)C1)CC(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.674
InChIKey:MQMRKGRRHGSBSE-UHFFFAOYSA-N
ID: 59547
SMILES:C1=C(C)CCC(C(=C)C)C1c1cc(O)cc(CCC=CC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -17.439
InChIKey:LMZIULCMMLHGKD-UHFFFAOYSA-N
ID: 59548
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(C(C)(O)CCC1C(C)C)C=CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -12.454
InChIKey:OPZOMOOIXADTEW-UHFFFAOYSA-N
ID: 59549
SMILES:CC1(C)C2C(c3c(O)cc(CCCCC)cc31)OC(C=C(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.733
InChIKey:GXOWPGWFTSLBAY-UHFFFAOYSA-N
ID: 59550
SMILES:C(CC)CCc1cc(OC(=O)C)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -18.767
InChIKey:OGCCABVUOZBTQV-UHFFFAOYSA-N
ID: 59551
SMILES:c1cc(OC)cc2c1-c1c(O)cc(CCCCC)c(C(=O)O)c1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -15.664
InChIKey:IAUKEFOERCAXCC-UHFFFAOYSA-N
ID: 59552
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -19.296
InChIKey:GEMPDHCIWOATES-UHFFFAOYSA-N
ID: 59553
SMILES:CC1(C)C2C(c3c(cc(CCCCCO)cc3O)O1)C(OC)C1=C(C3C(C(C)(O)C2C)C=C(O)C(C)(C)O3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.713
CB1 binding score: -14.444
InChIKey:MJZKJRAFNBGQHW-UHFFFAOYSA-N
ID: 59554
SMILES:C(c1c(OC)c2c(c(COC(c3ccc(OC)cc3)=O)c1O)OC(C)(C)C1CCC(C)=CC21)C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.628
CB1 binding score: -14.221
InChIKey:DYHSBMBRWQKKFI-UHFFFAOYSA-N
ID: 59555
SMILES:C1(O)C(OC(=O)C)C2C(C)(Oc3c(c(OC)cc(CCCCC)c3)C2)CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -12.023
InChIKey:PGYSRAAQMOYXNO-UHFFFAOYSA-N
ID: 59556
SMILES:O1CC(C)=C(COc2cc(CCCCC)cc3c2OC2(C(C)C)CC3C(CO)=CC2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -15.549
InChIKey:PWDZKPGABPIUOH-UHFFFAOYSA-N