ID: 120625
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 120626
SMILES:c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1CCC(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.653
InChIKey:BAUFCAQNSLPYGF-UHFFFAOYSA-N
ID: 120627
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCC(CCCCC)OC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.823
InChIKey:BTBYZEBGTIAEKX-UHFFFAOYSA-N
ID: 120628
SMILES:O(C1=Cc2c(O)cc(CCCCC)cc2OC1(C)C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -16.377
InChIKey:SGSWAGWEMXLDMD-UHFFFAOYSA-N
ID: 120629
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C(O)CCC1(C)C(C(C)=CC(=O)C=C1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.988
InChIKey:KYGMALWRGWWDJF-UHFFFAOYSA-N
ID: 120630
SMILES:C(CCCC=CC(O)C(C)CCCOc1c2c(cccc2C(O)=O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.764
CB1 binding score: -14.732
InChIKey:AWRJUEHVBPYRBE-UHFFFAOYSA-N
ID: 120631
SMILES:c1(C)cc(O)cc(C2Oc3c(c(OC)cc(CCCCC)c3)c3c2C=CCCC3[N+](C)(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.654
CB1 binding score: Not available
InChIKey:VVFBSUWBQVAENU-UHFFFAOYSA-O
ID: 120632
SMILES:C(CC(C(C)=C)CCC(O)C)C1(C)Oc2c(c(O)cc(C)c2)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.443
InChIKey:UGXIDQBVWINGIO-UHFFFAOYSA-N
ID: 120633
SMILES:c1c(CCCCC)ccc(O)c1C1C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.247
InChIKey:IJXLDZIYGDHKBA-UHFFFAOYSA-N
ID: 120634
SMILES:c1(O)c(CC=C(C)C=CC(=O)OC)ccc2c1C1C=C(C)CCC1C1(C)Cc3c(OC)cc(OC)c(C)c3OC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 574.714
CB1 binding score: -15.249
InChIKey:IWIDFJASBNPYLR-UHFFFAOYSA-N
ID: 120635
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.748
InChIKey:ORIYPICUSOGUOA-UHFFFAOYSA-N
ID: 120636
SMILES:C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C(O)(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -18.878
InChIKey:HVORQBIQQLGJNH-UHFFFAOYSA-N
ID: 120637
SMILES:O1C(C)(C)C2CC=C(C)CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 120638
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)ccc1OC1C(O)C(O)C(OC(C(C)=CC)=O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.55
CB1 binding score: -14.116
InChIKey:JPMGEAQSMAMQAE-UHFFFAOYSA-N
ID: 120639
SMILES:C(#C)c1c(O)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.356
CB1 binding score: -14.05
InChIKey:CQTIMTNUFUDSOV-UHFFFAOYSA-N
ID: 120640
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 120641
SMILES:c1c(C)cc(O)c2c1-c1c(OC)cc(C)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.355
CB1 binding score: -17.077
InChIKey:CNZXJNKAEYOACI-UHFFFAOYSA-N
ID: 120642
SMILES:C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 120643
SMILES:c1c(O)c2c(cc1CCCC)OC(C)(C)c1cc(C)c(O)c(c1)-c1c(cc(C)cc1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.56
CB1 binding score: -15.385
InChIKey:WRHKOETWTUAORL-UHFFFAOYSA-N
ID: 120644
SMILES:C(Cc1cc(O)c(C2OC(C)(C)C=CC2=O)cc1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -14.838
InChIKey:LWBBQAPAIHVSBZ-UHFFFAOYSA-N
ID: 120645
SMILES:C12C(C)C(=O)CC1C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.981
InChIKey:GCIKKSBEAHCSPM-UHFFFAOYSA-N