ID: 68608
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)c(-c2cc(C(C=C)(CCC=C(C)C)C)c(C)cc2)c(O)c1Br
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 565.592
CB1 binding score: -16.234
InChIKey:HNTQJYUTCIKZGC-UHFFFAOYSA-N
ID: 68609
SMILES:OC12C(O)C(C)=CC1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.87
InChIKey:DTCVSWPGVMVPHL-UHFFFAOYSA-N
ID: 68610
SMILES:c12c(ccc(CCCCC)c1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.055
InChIKey:YNUMDHXFQAUOGS-UHFFFAOYSA-N
ID: 68611
SMILES:C(CC(C)C)(OCc1c(CCC)c(OC(C)=O)c2c(c1)OC(C)(C)C1C2C=C(COC(C)=O)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -14.39
InChIKey:XFZIPFHHOGNISS-UHFFFAOYSA-N
ID: 68612
SMILES:C=C1C2C(C)(C)C3C(c4c(O)cc(CCC)cc4OC32)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -14.254
InChIKey:MDUFPZRYWAEOBB-UHFFFAOYSA-N
ID: 68613
SMILES:C(c1c(O)c2c(cc1CO)OC(C)(C)C1CCC(C)=CC12)C=C(COC(C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -15.633
InChIKey:VVCXDKBNVHCLPE-UHFFFAOYSA-N
ID: 68614
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 68615
SMILES:c1c(C)cc2c(c1)C(C)(C)Oc1cc(CCCCC)cc3c1C(C2)OC3=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -15.929
InChIKey:XFCBHTXNUUXISD-UHFFFAOYSA-N
ID: 68616
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(O)(CC=CC(C)(C)OC)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -15.519
InChIKey:OTMKVERLUHXGPW-UHFFFAOYSA-N
ID: 68617
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CCC(C)=CCC=C(C)C(=O)C1)OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -12.297
InChIKey:GJJQUYLWWFZTGC-UHFFFAOYSA-N
ID: 68618
SMILES:C(C)(=CCc1c(C(O)=O)cc(O)c2c1OC(C)(C)C1C2CC(C)=CCC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.116
InChIKey:JJOJTPXMDHNIHK-UHFFFAOYSA-N
ID: 68619
SMILES:Oc1c(C(CC(C)(C)O)=O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.238
InChIKey:RYRGRDBKHZQBNV-UHFFFAOYSA-N
ID: 68620
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.2
InChIKey:LDRMVIHDAUQSIW-UHFFFAOYSA-N
ID: 68621
SMILES:C1(C)(C)Oc2cc(CCc3ccccc3)cc(O)c2C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N
ID: 68622
SMILES:O(C)c1cc(C)cc2c1-c1c(cc(CCCCC)cc1OC(=O)C)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -14.917
InChIKey:VJGQYNJPGZUKHI-UHFFFAOYSA-N
ID: 68623
SMILES:c1(C=O)cc(CC=C(C)CCC=C(C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.302
InChIKey:WDHICYLWEAZMNP-UHFFFAOYSA-N
ID: 68624
SMILES:C1Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 192.258
CB1 binding score: -17.99
InChIKey:CBNHBFQWUZBCDS-UHFFFAOYSA-N
ID: 68625
SMILES:c1(O)c(C)cc(O)c(CC=C(C)CC2=CCC(C(=C)C)CC2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.826
InChIKey:DODSGVXGWSLCLK-UHFFFAOYSA-N
ID: 68626
SMILES:O1c2cc(CCCCC)c(C3C=C(C)CCC3C(C)=C)c(O)c2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.391
InChIKey:FNTLLMOQKKNVFB-UHFFFAOYSA-N
ID: 68627
SMILES:C=C1CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3O2)C=CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -12.188
InChIKey:XVTXVEMLPRWUSK-UHFFFAOYSA-N
ID: 68628
SMILES:c1(C(C)C)c(C)c2c(c(C)c1)COc1c-2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -13.935
InChIKey:MIHWVYFQMCVVJA-UHFFFAOYSA-N