ID: 58066
SMILES:COc1cc(CCCCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.153
InChIKey:FHFWMWLGGRCLAF-UHFFFAOYSA-N
ID: 58067
SMILES:O=C(c1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.44
InChIKey:DQPOCJSRGRWBHT-UHFFFAOYSA-N
ID: 58068
SMILES:CC(C1C(=O)C2C(C)(Oc3cc(CCCCC)cc(O)c32)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.278
InChIKey:OTFGNUQIWAPCBQ-UHFFFAOYSA-N
ID: 58069
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 58070
SMILES:c1c2c(cc(C3C=C(C)CCC3C(=C)C)c(CC=C(C)C)c2)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.514
CB1 binding score: -14.041
InChIKey:VNYFTMHCRWMDND-UHFFFAOYSA-N
ID: 58071
SMILES:O=C(C1=CC2C(CC1)C(C)(C)Oc1c(C(O)(C)C)c(OC)ccc12)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -16.16
InChIKey:XRQLTIUIZHYKKE-UHFFFAOYSA-N
ID: 58072
SMILES:C(C)(C1=Cc2c(c(C(=O)OC)c(CCCCC)cc2O)OC1(CCC=C(C)C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.281
InChIKey:SPLRNOPDTHPHAR-UHFFFAOYSA-N
ID: 58073
SMILES:C1C2(C)c3cc(CC=C(C)C)c(C)cc3OC(C)(C)C2CC(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.562
CB1 binding score: -15.552
InChIKey:SIZXGGPBWLWTOB-UHFFFAOYSA-N
ID: 58074
SMILES:Oc1cc(CCCCC)cc2c1CC1C(C(CCC=C(C)C)(C)O)OC1CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -13.612
InChIKey:BYXVQUFFOAMTLI-UHFFFAOYSA-N
ID: 58075
SMILES:C1(C=C(C)CCC=C(C)C)C(CC(=O)CC(C)C)c2c(cc(CCCCCO)cc2O)OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -15.809
InChIKey:XNENAOKVNSPVLZ-UHFFFAOYSA-N
ID: 58076
SMILES:C(C)(CC(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.831
InChIKey:YHIVFUIEZCDTGJ-UHFFFAOYSA-N
ID: 58077
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(CC1)CCC2C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.479
InChIKey:QFXVVLMSNANAAV-UHFFFAOYSA-N
ID: 58078
SMILES:C1C=C(COC(Cc2ccc(O)cc2)=O)C2C1c1c(O)cc(CCCCC)cc1OC(C)(C)C2OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.638
CB1 binding score: -15.033
InChIKey:LIEULLFVDCKXRS-UHFFFAOYSA-N
ID: 58079
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 58080
SMILES:Oc1c(O)c(C(=C)CCCC(CO)C)cc2c1C1C(CC(O)C(C)(C)O1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.546
CB1 binding score: -13.768
InChIKey:APQJWAZZXPRAFY-UHFFFAOYSA-N
ID: 58081
SMILES:c12cc(CCCCC)cc(O)c1C1CC(CCC=C(C)C)(C)CCC1(C(=O)O)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.028
InChIKey:DWPHWBOOXCMFIM-UHFFFAOYSA-N
ID: 58082
SMILES:Oc1cc(CCCCCC)cc2c1C1C(C(=C)C)CC(=O)CC1C(O)=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.002
InChIKey:CLSVDAYYNOIECK-UHFFFAOYSA-N
ID: 58083
SMILES:C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.651
InChIKey:CKMSAAFAEFGNEW-UHFFFAOYSA-N
ID: 58084
SMILES:c1(=O)cc2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.352
InChIKey:HBEKGUVOOOGBOV-UHFFFAOYSA-N
ID: 58085
SMILES:c1c(C)c2c(cc(C(C(C)C(C)C)O)cc2O)OC(C)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.998
InChIKey:QXCPVJRVTNJLBE-UHFFFAOYSA-N
ID: 58086
SMILES:O=c1cc2c(ccc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -16.41
InChIKey:WKHDHOMHSWKHJO-UHFFFAOYSA-N