ID: 111007
SMILES:C1=CC(C)(C)Oc2c1ccc(CCCCCC)c2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -14.329
InChIKey:JTXMFBIEOHSVGD-UHFFFAOYSA-N
ID: 111008
SMILES:C1(C(C(C)=C)C(c2c(O)c(O)cc(CCCCC)c2)=O)CC(C)C2CC(O)C(C)=CC2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -12.694
InChIKey:OESMSNPDPLQMLN-UHFFFAOYSA-N
ID: 111009
SMILES:C1C(C)=CC(c2c(O)cc(C)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 111010
SMILES:O=C(O)C1(CO)C2C3(C(C)CC2)Cc2c(O)cc(CCCCC)cc2OC(C)(C)C1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -13.987
InChIKey:VCJGYGQVRAAWLI-UHFFFAOYSA-N
ID: 111011
SMILES:C(OCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.91
InChIKey:IXMHMCRLTXYJFK-UHFFFAOYSA-N
ID: 111012
SMILES:Oc1c(CC(O)C)c(O)c(OC)c2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -17.359
InChIKey:LMGKKUGJDYXFNM-UHFFFAOYSA-N
ID: 111013
SMILES:C(C)Cc1cc(O)c(C2C(C(C)=C)CC(O)C(C)=C2)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.358
InChIKey:PKLIKMOOJMVFIK-UHFFFAOYSA-N
ID: 111014
SMILES:CC(C)C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.27
InChIKey:WPJGAEFIBVPIDI-UHFFFAOYSA-N
ID: 111015
SMILES:c12c(cc(CCCCC)cc1O)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
ID: 111016
SMILES:C12(C)CCC(C(O)(C)C)C(c3c(O)cc(CCCCC)cc3OC(=O)C)C1CCC=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.135
InChIKey:SOVKIWLZHUIPOH-UHFFFAOYSA-N
ID: 111017
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.728
InChIKey:KHLGJPCISFQMLG-UHFFFAOYSA-N
ID: 111018
SMILES:O(C(C)C(CC1C(C)(C)C(c2ccc(CCCCCC)cc2O)C1=O)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -12.258
InChIKey:QLIAGGKYKWEBGQ-UHFFFAOYSA-N
ID: 111019
SMILES:C(Oc1cc(CCCCC)c(C(=O)O)c(O)c1CC=C(CCC=C(CCC(OO)C(C)=C)C)C)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.648
CB1 binding score: -15.139
InChIKey:GKKYKFVSFJKFHM-UHFFFAOYSA-N
ID: 111020
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(=C(C)C)C(C)(CC=C(C)C)C(CC=C(C)COc3ccc(C(O)=O)cc31)OC2=O)=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 612.807
CB1 binding score: -10.269
InChIKey:HKDCRCJMHORJCW-UHFFFAOYSA-N
ID: 111021
SMILES:c12c(c(OC)cc(C)c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.372
InChIKey:VRVBUCRQGHWYCT-UHFFFAOYSA-N
ID: 111022
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)c(C(O)=O)c1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.276
InChIKey:NGHGOJRQIYPXBS-UHFFFAOYSA-N
ID: 111023
SMILES:O1C(=O)c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.321
CB1 binding score: -18.153
InChIKey:ZRXDWBHLDHDWJW-UHFFFAOYSA-N
ID: 111024
SMILES:C12Oc3c(c(O)cc(CCCCC)c3)C(C(O)=O)(C)C1CCC2(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -17.392
InChIKey:OEBQDJXTZSGWAY-UHFFFAOYSA-N
ID: 111025
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.691
InChIKey:ZLYNXDIDWUWASO-UHFFFAOYSA-N
ID: 111026
SMILES:C(CCC=C(C)C)(=CCc1c(O)cc(CCCCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -16.998
InChIKey:DAOBMYOFOPZVGI-UHFFFAOYSA-N
ID: 111027
SMILES:OC1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2C1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.697
InChIKey:DXODHIDHOMMILV-UHFFFAOYSA-N