ID: 49603
SMILES:CC1(O)CCC2C(C)(C)Oc3c(c(OC)cc(CCCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.959
InChIKey:PKPMWTJLZCOXIH-UHFFFAOYSA-N
ID: 49604
SMILES:C(CCC)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.513
InChIKey:CIJICZZLEOZAJA-UHFFFAOYSA-N
ID: 49605
SMILES:C(C)(=O)Oc1c(O)cc(Cc2cc(O)cc(C)c2)cc1OCC=C(CCC=C(C)COC(C(C)(O)C)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.626
CB1 binding score: -14.803
InChIKey:XINMYWKKNFRFBR-UHFFFAOYSA-N
ID: 49606
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.032
InChIKey:NJSZRBFBYZMAGU-UHFFFAOYSA-N
ID: 49607
SMILES:C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.188
InChIKey:GGHRHCGOMWNLCE-UHFFFAOYSA-N
ID: 49608
SMILES:C(C1C(C)(CC)Oc2cc(C)cc(OC)c2C1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -13.255
InChIKey:QEZSXINEJKIONF-UHFFFAOYSA-N
ID: 49609
SMILES:C12C3(C(C)(Oc4c1c(O)ccc43)C)CC(C)CC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -14.605
InChIKey:RERCIBWPBDUTTJ-UHFFFAOYSA-N
ID: 49610
SMILES:C(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C(=O)C1)(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.568
InChIKey:BZKPQULDLADYRW-UHFFFAOYSA-N
ID: 49611
SMILES:C(CC=C(C)C)C(CCCC(C)=CCc1c(O)c(C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 49612
SMILES:COCC1=CC2(O)C(CC1)C(C)CC1C3(C2C(C)(C)Oc2c3c(OC)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -17.651
InChIKey:WLLIGSOOTXZIDL-UHFFFAOYSA-N
ID: 49613
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: 49614
SMILES:C1C=C(C(C)C)C2C13c1c(cc(C)cc1O)OC3C(O)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.657
InChIKey:AGKICGUDGHBZHI-UHFFFAOYSA-N
ID: 49615
SMILES:Oc1cc2c(c(C)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.472
InChIKey:MRMJKDJYMLWPGM-UHFFFAOYSA-N
ID: 49616
SMILES:Oc1c2c(cc(CCCCC)c1)C1C(C(CO)=C)CCC(CCNC(NCCc3ccccc3)=N)(O)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 519.73
CB1 binding score: -14.503
InChIKey:YKQOYBUWTDGXBH-UHFFFAOYSA-N
ID: 49617
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 49618
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C(=O)O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 49619
SMILES:C1(c2c(O)cc(CCCCC)cc2O)OC(C)(C)C2C1CC(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.929
InChIKey:CHHMXZACROTTFG-UHFFFAOYSA-N
ID: 49620
SMILES:c1(CCCCC)cc2c(c(O)c1C=O)OC(CCC=C(C)C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.29
InChIKey:FNXVEKXPOQRAOQ-UHFFFAOYSA-N
ID: 49621
SMILES:Oc1cc(CCc2cc(O)ccc2)cc(OC)c1C1C(C(=C)C)CC2C(=C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.63
CB1 binding score: -16.015
InChIKey:HMJQXEVWABAGGT-UHFFFAOYSA-N
ID: 49622
SMILES:C1CC(C)C2=Cc3c(O)cc(CCCCC)cc3OC2(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.771
InChIKey:NQQKJMUTQAIOSG-UHFFFAOYSA-N
ID: 49623
SMILES:COc1c(OC)c(C2C=C(C)CCC2C(=C)C)c(O)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.929
InChIKey:PJBUDDDBFAXRBS-UHFFFAOYSA-N