ID: 67642
SMILES:O(C)C(C)(c1c(O)c(CC=C(C)CCC=C(C)C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.879
InChIKey:CHRNKXQCPHRXOK-UHFFFAOYSA-N
ID: 67643
SMILES:CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 67644
SMILES:C12C(C(C)(C)Oc3cc(CCCCCC)cc(O)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.994
InChIKey:IKRIVWMFIXFOPK-UHFFFAOYSA-N
ID: 67645
SMILES:C(=C(C)C=CC(=O)c1c2c(c(CCCCC)cc1O)OC(C)(C)C1CCC(CO)=CC21)C=CC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.684
CB1 binding score: -13.696
InChIKey:NOGOEWLGRDGIKH-UHFFFAOYSA-N
ID: 67646
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C2CC(O)(C)C)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.939
InChIKey:FBLSISVIYNZBOO-UHFFFAOYSA-N
ID: 67647
SMILES:C(C)(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.466
InChIKey:MYHSOKDQJSQFRD-UHFFFAOYSA-N
ID: 67648
SMILES:C(C)(C)=CCCC(=CCc1c(O)c(C(O)=O)cc(CCCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 67649
SMILES:c1c(=O)c2c(cc(CCCCC)c1)OC1(C)C(C2)C(O)(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.624
InChIKey:YZUYVEKUOBGNDG-UHFFFAOYSA-N
ID: 67650
SMILES:O(c1cc(C)cc(C2C(C(=C)C)CCC(C)=C2)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -17.681
InChIKey:NOTJNCQMZDYAEN-UHFFFAOYSA-N
ID: 67651
SMILES:C(CC)CCCc1cc(O)c(C2C(C(CO)C)CCC(C)C2)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.528
CB1 binding score: -15.929
InChIKey:RGJBGKBZGYSZPB-UHFFFAOYSA-N
ID: 67652
SMILES:C1(C)=CC(c2cc(O)ccc2)C(C(C)=C)C(c2c(O)cc(C(C)C)cc2O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -15.826
InChIKey:XIKMXXRNRAYAMY-UHFFFAOYSA-N
ID: 67653
SMILES:C(CCC(OO)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.26
InChIKey:JQPFGDOWTFPVIS-UHFFFAOYSA-N
ID: 67654
SMILES:CC1CCCC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -15.14
InChIKey:VPRGUKBKTBTIDV-UHFFFAOYSA-N
ID: 67655
SMILES:CC(CCC(c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)C=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.956
InChIKey:BOXMVEJWIZAYHF-UHFFFAOYSA-N
ID: 67656
SMILES:COc1c(OC)ccc(CCNC(=O)c2c(OC)c3c(cc2C)OC(C)(C)C2CCC(C)CC32)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 481.633
CB1 binding score: -16.216
InChIKey:WTMZOWUQLSOVDL-UHFFFAOYSA-N
ID: 67657
SMILES:CC(OCc1cc2c(c3c1-c1c(cc(CCCCC)cc1O)OC3(C)C)C(O)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.482
CB1 binding score: -13.862
InChIKey:WLTLHPUOLYUJGU-UHFFFAOYSA-N
ID: 67658
SMILES:c1(O)c2c(cc(CCCCCCC)c1)OC1(CCC(C(C)C)C=C1)Oc1cc(O)cc(O)c1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -16.86
InChIKey:BVXAYYGBWADNSK-UHFFFAOYSA-N
ID: 67659
SMILES:C(=CCCC(C)=CCCC1C(C)Oc2c1cc(OC(C)=O)cc2CCCC)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.148
InChIKey:UARPIXFBVKOOLK-UHFFFAOYSA-N
ID: 67660
SMILES:CC1(C)Oc2cc(CCCCC)c(C(=O)OCC3=CC4C(CC3)C(C)CCC4=O)c(O)c2C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.617
CB1 binding score: -16.675
InChIKey:GIUUTGYDYGOXPP-UHFFFAOYSA-N
ID: 67661
SMILES:C1CC(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.514
CB1 binding score: -16.929
InChIKey:RATBVXZMDHULMH-UHFFFAOYSA-N
ID: 67662
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N