ID: 67096
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C(O)CCC(C)=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.672
InChIKey:KMTUOELEXZKWPB-UHFFFAOYSA-N
ID: 67097
SMILES:c12ccc(C(O)=O)c-1ccccc2-c1c(CCCCC)cc2c3c1OC(CCC=C(C)C)(C)C1C(C(C)(O)CC1)C3O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.754
CB1 binding score: -15.327
InChIKey:XGKGZMRFLUDFOI-UHFFFAOYSA-N
ID: 67098
SMILES:c1(OC)c(C2C=C(C)CCC2C(C)=C)c(OC)cc2c1C(=O)OC21OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -16.162
InChIKey:PBMHLHWAXZACON-UHFFFAOYSA-N
ID: 67099
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 67100
SMILES:O1c2cc(CCCCC)cc(O)c2C2C(CCC(C)=C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 67101
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 67102
SMILES:C(CC)Cc1cc(O)c(C2C(C(=C)C)CC(O)C(C)C2)c(O)c1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.329
InChIKey:YIXWGVCGDCTVSM-UHFFFAOYSA-N
ID: 67103
SMILES:CC(C)C1C2CC(C)=CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -15.434
InChIKey:WINRODKEFMQDPK-UHFFFAOYSA-N
ID: 67104
SMILES:O=C(C(C)=CC)c1c(O)c2c(c(C(O)CC(C)C)c1)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -17.952
InChIKey:VKETUFJELWUYAV-UHFFFAOYSA-N
ID: 67105
SMILES:C(CCC)CCc1cc2c(c(O)c1)C1C=C(C)CCC2C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.956
InChIKey:BQAAMCCYKAAHAI-UHFFFAOYSA-N
ID: 67106
SMILES:C(Cc1c(O)c2c(cc1OC)OC(C)(C)C1CCC(C=O)=CC21)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -13.17
InChIKey:BLPPAIWADOSZSZ-UHFFFAOYSA-N
ID: 67107
SMILES:c1(-c2c(O)cccc2CC(C)O)c(CCCCC)cc2c(c1O)-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.614
CB1 binding score: -14.402
InChIKey:PPTQMYGILSLIIZ-UHFFFAOYSA-N
ID: 67108
SMILES:O(Cc1c(C)cc(O)c2c1C1C(C(C)(C)O2)CCC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.519
InChIKey:JUSWMWWUSAVMQJ-UHFFFAOYSA-N
ID: 67109
SMILES:C(CC1C(C(C)C)CC(=O)C(C)=C1)Oc1cc(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.513
InChIKey:SZGNXSWDDXEHHP-UHFFFAOYSA-N
ID: 67110
SMILES:C12(C)CCCC(C(=C)C)(C1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.184
InChIKey:HIEWOTJNJMZFOK-UHFFFAOYSA-N
ID: 67111
SMILES:C1CC(C)=CC2C(CCC=C(C)C)(C)Oc3cc(C)cc(O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 326.48
CB1 binding score: -15.526
InChIKey:KYWWXJQGQSOJKF-UHFFFAOYSA-N
ID: 67112
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.941
InChIKey:ZDCBLFFMTXHWAN-UHFFFAOYSA-N
ID: 67113
SMILES:CC1(C)Oc2c(c(O)cc(C)c2)C2=C1CCC1(C)Oc3c(cc(O)cc3C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.495
CB1 binding score: -13.915
InChIKey:YVAJDZZVEVPAPP-UHFFFAOYSA-N
ID: 67114
SMILES:c1(CCCCCCC)c(O)c2c(cc1)OC(CCC1=C(C)CCC(=O)O1)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.35
InChIKey:VIFRPQCMRJOAPX-UHFFFAOYSA-N
ID: 67115
SMILES:c1(C(CC)C)c(C)c(=O)c(O)cc2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -12.445
InChIKey:OGOXBWGUUYWGLE-UHFFFAOYSA-N
ID: 67116
SMILES:Cc1c(C(CCCCC)O)c(O)c(C2C3C(C)(O2)CCC3C(CCC=C(C)C)(O)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.655
CB1 binding score: -12.226
InChIKey:PRLILZZTJVZMRL-UHFFFAOYSA-N