ID: 90679
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 90680
SMILES:C12C(OO)(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.022
InChIKey:FTRVUVASJWIYDY-UHFFFAOYSA-N
ID: 90681
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: 90682
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 90683
SMILES:C(CCCC)C(CCc1cc2c(c(O)c1)C1C(CC(C(C)C)O1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.592
CB1 binding score: -13.737
InChIKey:SOTXDQQSTZSCJV-UHFFFAOYSA-N
ID: 90684
SMILES:C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C2Oc4c(c(O)cc(O)c4)CC3(C(=O)O1)CC2O
Pathway: Polyketides;Shikimates and Phenylpropanoids
Superclass: Meroterpenoids;Flavonoids
Class: Cannabinoids;Flavan-3-ols
MW: 496.556
CB1 binding score: -17.714
InChIKey:KVMOXUJHYHDCNM-UHFFFAOYSA-N
ID: 90685
SMILES:CC1(C)C2CCC(C)=CC1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.367
InChIKey:XFNAIZAONRSNKF-UHFFFAOYSA-N
ID: 90686
SMILES:C1C(C)(C)C2=C(O)C1(O)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.799
InChIKey:MOBRZNCSXNNPSD-UHFFFAOYSA-N
ID: 90687
SMILES:C12=COC(OC)C1=CC=CC2C(C)(CCC(Oc1cc(CCCCC)cc(O)c1)=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -16.363
InChIKey:CTNBZXHYHNJUCU-UHFFFAOYSA-N
ID: 90688
SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.9
InChIKey:UWBCYGUAEGZJRC-UHFFFAOYSA-N
ID: 90689
SMILES:O=Cc1c(CCCCC)cc2c3c1OC(C)(C)C1CCC(C)(CC21)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.929
InChIKey:ODQDWLSDXCAHDZ-UHFFFAOYSA-N
ID: 90690
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 90691
SMILES:C1c2c(cc(CCCCC)cc2O)OC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -19.22
InChIKey:AHKIGVNVQSVNEP-UHFFFAOYSA-N
ID: 90692
SMILES:C(C(O)(C)C)CCC(O)(C)C1=CC2C(C)(Oc3cc(O)cc(CCCCC)c32)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -15.993
InChIKey:AMFWOYXESFROQT-UHFFFAOYSA-N
ID: 90693
SMILES:CC(O)(C)C=CCC1(C)C(Cc2c(O)ccc(O)c2)C(=C)CCC1Br
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.364
CB1 binding score: -17.465
InChIKey:YOLWTEJCDKVDQJ-UHFFFAOYSA-N
ID: 90694
SMILES:C1C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C(O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.21
InChIKey:QATRADYGJXWTPV-UHFFFAOYSA-N
ID: 90695
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)C2C3C(C)(O)C(C)(CCC21)C(O)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.623
InChIKey:CYQYEIYEZIHVEK-UHFFFAOYSA-N
ID: 90696
SMILES:C(c1c(O)c2c(cc1C)OC13CCCC(C)(C)C1CC2C(O)CO3)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.519
InChIKey:MLCCEACZCPDALM-UHFFFAOYSA-N
ID: 90697
SMILES:C(CCC)c1ccc2c(c1O)C1C=C(C)[CH]CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.434
CB1 binding score: -17.08
InChIKey:IJNOYTMPJKYCCN-UHFFFAOYSA-N
ID: 90698
SMILES:C(CC(C)=CCc1c(O)c(C(OC)=O)c(CCCCC)c(O)c1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.349
InChIKey:NQHPCKANHGPLFT-UHFFFAOYSA-N
ID: 90699
SMILES:C(CCCC)CCCCCCCCCCCCc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.82
CB1 binding score: -15.226
InChIKey:QSDWPSZQBSPLNL-UHFFFAOYSA-N