ID: 44101
SMILES:C1(=O)C2(C)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.333
InChIKey:VDEAORHIWRBRHS-UHFFFAOYSA-N
ID: 44102
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 44103
SMILES:C(=O)(OC)Cc1c(O)c(O)c2c(c1CCCC(O)(C)C)CCC(Br)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 459.377
CB1 binding score: -14.899
InChIKey:ZVBYQGBCPJYJLY-UHFFFAOYSA-N
ID: 44104
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1cc(C)c(O)c(C3C(C(C)=C)CCC(C)=C3)c1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -15.309
InChIKey:VCZZUBLJHGLWSI-UHFFFAOYSA-N
ID: 44105
SMILES:C12Oc3c(c(O)cc(CCCCC)c3)C3C1(C)CCC(C(C)(O)C)C3CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.077
InChIKey:KGXLWPBHLNLDEX-UHFFFAOYSA-N
ID: 44106
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 44107
SMILES:CC1C2(C)CC3Oc4c(c(O)cc(CCCCC)c4)C3C2C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -13.198
InChIKey:IYPBJQLOXMOLBK-UHFFFAOYSA-N
ID: 44108
SMILES:Oc1cc(O)c2c(c1C(C(C)C)=O)C1C(CC(O)C(C)=C1)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -17.251
InChIKey:NFGTWHDYIAPNCY-UHFFFAOYSA-N
ID: 44109
SMILES:c1c(O)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 44110
SMILES:CC1CCC(C(C)C)C1c1c(CCCCC)cc(O)c(CC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -15.566
InChIKey:DWEGELOLKUTPLL-UHFFFAOYSA-N
ID: 44111
SMILES:C(C)CCc1c(C(=O)O)c(O)c(C2C=C(C)CCC2C(CC=CC(C)(C)O)=C)o1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -14.656
InChIKey:YGIPPMKXHBXFTC-UHFFFAOYSA-N
ID: 44112
SMILES:C(CCCCc1cc2c(c(O)c1)C1C=C(C(=O)O1)CCCC(O)(C)C2)=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.214
InChIKey:TWKXWYXGSROEJZ-UHFFFAOYSA-N
ID: 44113
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(O2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.441
InChIKey:TUQZDGULHPICQO-UHFFFAOYSA-N
ID: 44114
SMILES:C1(C(C)C)C(c2c(C(OC)=O)c(CCCCC)cc(O)c2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.633
InChIKey:ZJEMRKWKQKSNKY-UHFFFAOYSA-N
ID: 44115
SMILES:C(C)(CC(CC(CC)C)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -15.434
InChIKey:QPWXIGRBNXPYJM-UHFFFAOYSA-N
ID: 44116
SMILES:C1(O)(c2ccccc2)C(=O)C2(CC=C(CCC=C(C)C)C)Oc3c(c(O)cc(CCCCC)c3)C2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.722
CB1 binding score: -15.229
InChIKey:WACMDFDTIFWWDM-UHFFFAOYSA-N
ID: 44117
SMILES:CC1=CCC2C(C)(C)Oc3c(O)c(O)c(C)cc3C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.548
InChIKey:ZLFCCGVBYBNVAL-UHFFFAOYSA-N
ID: 44118
SMILES:C12(O)C(O)C(COS(=O)(O)=O)=CC(O)C1c1c(cc(CCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.502
CB1 binding score: -13.823
InChIKey:YQYNLZUJQJFKQR-UHFFFAOYSA-N
ID: 44119
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C2=C(C3=C(CO)C(=O)O2)OC(C)(C)C2CCC(C)(C2C3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.693
CB1 binding score: -15.047
InChIKey:SUHMKEOBZCIWOR-UHFFFAOYSA-N
ID: 44120
SMILES:CC1C2C(O)(c3c(cc(CCCCC)cc3O)OC2(CO)C)C=CO1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -17.016
InChIKey:YUTXIGPSPJVEPL-UHFFFAOYSA-N
ID: 44121
SMILES:O(c1c2c(c(C(C(C)CC)=O)cc1O)OC(C)(C)C1C2C=C(C)CC1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.428
InChIKey:DKUFTGTVIHLTGH-UHFFFAOYSA-N