ID: 65668
SMILES:CCC(C(c1c(O)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.453
InChIKey:NIZQVFOBIVYVBJ-UHFFFAOYSA-N
ID: 65669
SMILES:C1CCC(C)(CO)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.974
InChIKey:MHQHLPUNVOYBMX-UHFFFAOYSA-N
ID: 65670
SMILES:c12cc(CCCCC)cc3oc(=O)cc(c13)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Shikimates and Phenylpropanoids
Superclass: Meroterpenoids;Coumarins
Class: Cannabinoids;Pyranocoumarins;Simple coumarins
MW: 366.501
CB1 binding score: -16.059
InChIKey:JSOVJACFDFYOGZ-UHFFFAOYSA-N
ID: 65671
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)c(O)c(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.603
InChIKey:CJXNORQCNHTITK-UHFFFAOYSA-N
ID: 65672
SMILES:C1(C)=CC2C(CC1)C(CO)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -17.313
InChIKey:MWKPFUIBSPVIIR-UHFFFAOYSA-N
ID: 65673
SMILES:CCCCCc1c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 65674
SMILES:CC1=CC2c3c(O)cc(CCCCC)c(O)c3C(C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.338
InChIKey:NEKCCSUNDMUJBA-UHFFFAOYSA-N
ID: 65675
SMILES:C(OCC1OC(OC2C3(C)C(=C(CO)CC=C3)CC(C)(C)C2)(C)c2c(O)cc(CCCCC)cc21)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.687
CB1 binding score: -14.411
InChIKey:PLGCTDRSPRJCRL-UHFFFAOYSA-N
ID: 65676
SMILES:C12CC(C)=CCCC(C)=CCC1C(C)(C)Oc1c2ccc(CC=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.519
CB1 binding score: -14.605
InChIKey:DJCXUYUMHXRKBA-UHFFFAOYSA-N
ID: 65677
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 65678
SMILES:C(=CC(c1c(C)cc2c(c1)C=CC(C)(C)O2)C)CC1OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.605
InChIKey:TUSZIKCYFQJJTF-UHFFFAOYSA-N
ID: 65679
SMILES:C(C)C=CCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.109
InChIKey:ROCMCFVUPVWFPD-UHFFFAOYSA-N
ID: 65680
SMILES:C1CC23C(OC2(C)C)c2c(cc(C)cc2O)OC13C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.213
InChIKey:TWTXDYJYHKDMGP-UHFFFAOYSA-N
ID: 65681
SMILES:Oc1c(C(O)=O)c(CCCCC)cc2c1C1=C(C(=C)C)CCC(C)=C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -14.278
InChIKey:JAKFLTDNKWOOOU-UHFFFAOYSA-N
ID: 65682
SMILES:C=C(C1CCC(C)=CC1c1c(OC(=O)C)cc(OC(CCCCCCCC=CCC=CCCCCC)=O)c(C)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.835
CB1 binding score: -14.992
InChIKey:RDZUYOJKMASIGY-UHFFFAOYSA-N
ID: 65683
SMILES:C12(C(C)C3(C)C1C(C)(C)CCC3)Oc1c(C(OC)=O)c(CCCCC)cc(OC(=O)C)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -13.598
InChIKey:NWCJDXCQHDTDHP-UHFFFAOYSA-N
ID: 65684
SMILES:C1=C(C)CCC2C(C(C)(C)Oc3c(OC)cc(CCCCC)c(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.288
InChIKey:NGJNVCYYNKXMBZ-UHFFFAOYSA-N
ID: 65685
SMILES:CC(=C)C1CCC(O)(C)C(OC(=O)C)CCC(C)=CC2c3c(cc(CCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -15.081
InChIKey:FQLZTABKCKLELW-UHFFFAOYSA-N
ID: 65686
SMILES:C1(C)=CCCC2C(C1)Cc1c(cc(C)c(O)c1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -14.981
InChIKey:UPCCNIKSWKHEBZ-UHFFFAOYSA-N
ID: 65687
SMILES:C1(C)=C2CC3C(C(C)(C)Oc4c3c(OC)cc(C(C(=O)C)C=O)c4OC)C(O)C(C(C)(C)O)CC23c2ccccc2C(C1)C3(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 630.822
CB1 binding score: -16.024
InChIKey:KDBSOZYUEORWRK-UHFFFAOYSA-N
ID: 65688
SMILES:C1C(C)(C=C)C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -12.616
InChIKey:HXISAHKUPRAGCP-UHFFFAOYSA-N