ID: 77701
SMILES:O(C(C(C)(OC(C)=O)C)c1c(C)cc(O)c2c1OC(CCC=C(C)C)(C)C=C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -14.627
InChIKey:CTRPZJSWXMUXJK-UHFFFAOYSA-N
ID: 77702
SMILES:C(=C(CCC=C(CCC=C(C)C)C)C)Cc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 356.55
CB1 binding score: -18.934
InChIKey:LDZQKZLPWVBJOB-UHFFFAOYSA-N
ID: 77703
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 77704
SMILES:C(=O)C(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.158
InChIKey:XKYZLVWYJXIOOE-UHFFFAOYSA-N
ID: 77705
SMILES:C(Cc1cc(CC=C(CCC=C(C)C)C)c(O)cc1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 314.513
CB1 binding score: -17.43
InChIKey:DOKRBMNNIIGHQA-UHFFFAOYSA-N
ID: 77706
SMILES:CC1=CC2C(C(C)(C)Oc3cc(C=O)c(O)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -17.621
InChIKey:ZAHOXGPXIYQXDR-UHFFFAOYSA-N
ID: 77707
SMILES:CC1=CC2C(C(C)(C)Oc3c(C)ccc(C)c32)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -11.828
InChIKey:ZGUPMLIXNIEZLK-UHFFFAOYSA-N
ID: 77708
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 77709
SMILES:Clc1c(CCCCC)c(OC)cc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.941
CB1 binding score: -15.536
InChIKey:HVLYZLMMLLFSNT-UHFFFAOYSA-N
ID: 77710
SMILES:C1C(C2(C)C(C(CCC(C(C)C)CC)C)CC=C2)C2C(=C1)c1c(cc(CC)cc1)OC2
Pathway: Terpenoids
Superclass: Steroids;Meroterpenoids
Class: Cannabinoids;Stigmastane steroids
MW: 420.681
CB1 binding score: -14.668
InChIKey:RJYDLVAGGZMAQW-UHFFFAOYSA-N
ID: 77711
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.152
InChIKey:OEIVMCSOYSVRRF-UHFFFAOYSA-N
ID: 77712
SMILES:c1(=O)ccc2c(c(CCCCCC)cc(O)c1O)OC(C)(C)C1C2CC(COC(=O)C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -16.419
InChIKey:WVJNYSJOWSSESK-UHFFFAOYSA-N
ID: 77713
SMILES:C(=CC)(C)C(=O)c1c2c(c(O)c(C=CC(C)C)c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -17.102
InChIKey:ICJPRCVGGAWMII-UHFFFAOYSA-N
ID: 77714
SMILES:C1(C(C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 77715
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 77716
SMILES:C(CCCc1cc(OC)c(C2C=C(C)CCC2C(=C)C)o1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -15.388
InChIKey:JWBFJDYAXXFRPA-UHFFFAOYSA-N
ID: 77717
SMILES:CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2=C1C=CC(C)(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.25
InChIKey:LYPFMFBSKNDNHC-UHFFFAOYSA-N
ID: 77718
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 77719
SMILES:C1C(C)c2c(cc(CCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 206.285
CB1 binding score: -16.876
InChIKey:FHTWOCRGSAXDTB-UHFFFAOYSA-N
ID: 77720
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 77721
SMILES:c12cc(C)c(C(=O)O)cc1CC1C(C(C)(C)O2)CC=C(C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -13.141
InChIKey:SIKIZPAMWLSMDR-UHFFFAOYSA-N