ID: 45802
SMILES:O=C(C)OC1(C)CCC2C3(C)C(C1O2)Oc1cc(CCCCC)cc(O)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.774
InChIKey:BJJGOKWCQMPWHM-UHFFFAOYSA-N
ID: 45803
SMILES:CC1(C)Oc2cc(O)cc(CCCCC)c2C2C1CCC1(C)C(O)CCC(=C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.536
InChIKey:HLZWVXUEOWDNRJ-UHFFFAOYSA-N
ID: 45804
SMILES:C(O)(C)(C1Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.556
InChIKey:PTWZYAYUQGAAHU-UHFFFAOYSA-N
ID: 45805
SMILES:O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.026
InChIKey:XMTGBPSDIFMOCF-UHFFFAOYSA-N
ID: 45806
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 45807
SMILES:C(OC(C)=O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -17.144
InChIKey:HDCQAOSVRVXQGM-UHFFFAOYSA-N
ID: 45808
SMILES:C12Oc3c(c(O)cc(C)c3)C3C1(C)CCC(C(C)=CC=CC(C)=C)C32
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.475
CB1 binding score: -15.579
InChIKey:RECJBVUBUHADOE-UHFFFAOYSA-N
ID: 45809
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 45810
SMILES:CC(=CCCC1(C)C=Cc2c(cc(C(C(C)CC)O)cc2)O1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -7.085
InChIKey:BXJAFWXYAZUBIG-UHFFFAOYSA-N
ID: 45811
SMILES:O1c2c(cc(CCCC)cc2)C=C(C)CCC2C(C)(O1)c1c2c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.731
CB1 binding score: -15.796
InChIKey:XRANAHDIGTVCCP-UHFFFAOYSA-N
ID: 45812
SMILES:C1(C)(C)Oc2c(c(O)cc(C)c2)C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 45813
SMILES:c12c(cc(CCCCC)cc1OC)OC(C)(C)C1C2=C(C)CC(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.093
InChIKey:HYWRCPDUEVORKG-UHFFFAOYSA-N
ID: 45814
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)(O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 45815
SMILES:CC(O)(C)CC1C=C(C2Oc3c(c(O)cc(CCCC)c3)C2O)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.61
InChIKey:UPFCUNJBLBBUQD-UHFFFAOYSA-N
ID: 45816
SMILES:C1C(C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 638.707
CB1 binding score: -15.302
InChIKey:JJVIZFBFWNCMBC-UHFFFAOYSA-N
ID: 45817
SMILES:C1(C)=CCCC2(O)C3(C)C4(C(C(C)C)CC3)C(c3c(cc(CCCCC)cc3O)O2)C1O4
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.577
InChIKey:KVRVERDHMXIOJU-UHFFFAOYSA-N
ID: 45818
SMILES:C12C3(C)C4=C(c5c(cc(CCCCC)cc5O)OC14O)C(C)(C(CC3)O2)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.106
InChIKey:MCEXQUFLOKLVMM-UHFFFAOYSA-N
ID: 45819
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)OC2CC(C)(C)C=CCC12C1=CCCC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -17.19
InChIKey:JJDRGMDGCAMVKF-UHFFFAOYSA-N
ID: 45820
SMILES:C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 45821
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1C(CCC=C(C)C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.687
InChIKey:LSDOECGWLDIEQA-UHFFFAOYSA-N
ID: 45822
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1(Cl)CCC(C)(O)C(O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.928
CB1 binding score: -14.116
InChIKey:UCXZSLKUNNYURL-UHFFFAOYSA-N