ID: 73627
SMILES:C1C(C)(c2cc(OC(=O)C)cc(CCCCC)c2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.605
InChIKey:DJQRBMUWXIBVFC-UHFFFAOYSA-N
ID: 73628
SMILES:C1CC(C)C2=C(c3c(OC)cc(CCCCC)cc3OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.924
InChIKey:SFWSQHHDWVTCBP-UHFFFAOYSA-N
ID: 73629
SMILES:C12C(C)(C)C1CCC1(C)Oc3c(c(O)cc(CCCCC)c3)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.569
InChIKey:DTDRPGIOLDMKLT-UHFFFAOYSA-N
ID: 73630
SMILES:c1(O)ccc(CC(C2=CCC(C(CCCC(C)C)(O)C)C(C)C2)(C)O)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.591
CB1 binding score: -15.56
InChIKey:FMXHMZOKWKMCSK-UHFFFAOYSA-N
ID: 73631
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 73632
SMILES:C(CCCCCc1cc2oc(=O)c3c(c2cc1)OC(C)(C)C1CCC(C)=CC31)C
Pathway: Polyketides;Shikimates and Phenylpropanoids
Superclass: Meroterpenoids;Coumarins
Class: Cannabinoids;Pyranocoumarins;Simple coumarins
MW: 394.555
CB1 binding score: -15.113
InChIKey:BUORLAZWTYBVPW-UHFFFAOYSA-N
ID: 73633
SMILES:c1(C(C(C)CC)=O)c2c(c(O)c(C)c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.539
InChIKey:SYURGASQUCEXMU-UHFFFAOYSA-N
ID: 73634
SMILES:C1(OC(=O)C2C(C)Oc3c2c(O)cc(CCCCC)c3)C(C(C)C)CCC(C)=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.325
InChIKey:SGCMIKDQKYLDGV-UHFFFAOYSA-N
ID: 73635
SMILES:C(CCCC)Cc1cc2c(c(O)c1)OC(CCC1(C)C(C)(O)CCC(=C(C)C)C1=C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -13.437
InChIKey:ARSRXIUUKLLORP-UHFFFAOYSA-N
ID: 73636
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 73637
SMILES:CC1(C)C(Cc2c(O)cc(CCC(O)CC)cc2O)C(=C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.031
InChIKey:NBEHWLAJDNHEEQ-UHFFFAOYSA-N
ID: 73638
SMILES:C12C(C)C(=CC=C(C)C)Oc3c(C(OC)=O)c(CCCCC)cc(O)c3C1C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -14.632
InChIKey:XRWKACTWKNYMSV-UHFFFAOYSA-N
ID: 73639
SMILES:C1(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 73640
SMILES:C1(C)(C)Oc2cc(CCCCC)c(C(OC)=O)c(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.882
InChIKey:PZGQMCZVNQZFFP-UHFFFAOYSA-N
ID: 73641
SMILES:C1CC(C(=C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)CC2OC(=O)C(=C2)C1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -12.753
InChIKey:SSPPUAUINMUURX-UHFFFAOYSA-N
ID: 73642
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)c1c2cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.696
InChIKey:WNKDAZLOXAUXJL-UHFFFAOYSA-N
ID: 73643
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 73644
SMILES:c12c(cc(CCCC)c(O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.029
InChIKey:GLOFPCIDTKMWBQ-UHFFFAOYSA-N
ID: 73645
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 73646
SMILES:C(CCCC)c1cc2c(c(O)c1C(=O)O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 73647
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.916
InChIKey:WYMHNQJFXXXJDX-UHFFFAOYSA-N