ID: 58696
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.405
InChIKey:PBMFFSBQZUDFBS-UHFFFAOYSA-N
ID: 58697
SMILES:C1CC2C(c3c(O)cc(CCCCC)cc3OC2(O)C)C=C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.016
InChIKey:LPHMRNCBRHMHFX-UHFFFAOYSA-N
ID: 58698
SMILES:C1CC(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.514
CB1 binding score: -16.929
InChIKey:RATBVXZMDHULMH-UHFFFAOYSA-N
ID: 58699
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 58700
SMILES:C1CC2(C)C(C)(C1)c1c(O)cc(CCCO)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.531
InChIKey:MSFBINHFEKGPQE-UHFFFAOYSA-N
ID: 58701
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 58702
SMILES:Oc1c(C(C(C)CC)=O)c2c(cc1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.523
InChIKey:CWPVWILCHSXKFR-UHFFFAOYSA-N
ID: 58703
SMILES:COc1cc(CCCCC)cc2c1C1C(C(C)(OC(C)=O)CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.288
InChIKey:JUSQUCDOKWEUTQ-UHFFFAOYSA-N
ID: 58704
SMILES:C1CC(C(C)C)C(c2c(O)c(C(O)=O)c(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.282
InChIKey:ICMACQHPRPTQNH-UHFFFAOYSA-N
ID: 58705
SMILES:C(CCC)CCCCCCCCCCCCCCCCCC(OCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.937
CB1 binding score: -13.021
InChIKey:NTPDNOBOJRGZBL-UHFFFAOYSA-N
ID: 58706
SMILES:C1(C)=CC2c3c(O)cc(CCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 58707
SMILES:C12C=C(C)CCC1C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 58708
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 58709
SMILES:CC1(C)Oc2c(cc(C)cc2)C2C1CC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -17.481
InChIKey:RINVUAVEVZNZRY-UHFFFAOYSA-N
ID: 58710
SMILES:c1(C(=O)C(C)CC)c(O)c2c(c3c1OC(CCC=C(C)C)(C)C=C3)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.673
CB1 binding score: -16.794
InChIKey:YKLHNRCAJIPXPF-UHFFFAOYSA-N
ID: 58711
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 58712
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -13.833
InChIKey:XAOMONGFPMKXFX-UHFFFAOYSA-N
ID: 58713
SMILES:Oc1c(CCCCC)c(Br)c(O)c2c1OC1(C)CCC(=C(C)C)CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 423.391
CB1 binding score: -15.929
InChIKey:NXLAKFJJSMYPKB-UHFFFAOYSA-N
ID: 58714
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 58715
SMILES:CCCc1c(O)ccc(C2C=C(C)CCC2C(=C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -16.459
InChIKey:CXXBFYUEAWZKQH-UHFFFAOYSA-N
ID: 58716
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N