ID: 59011
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)=CC(=O)C1(C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.95
InChIKey:HNLRBSOWJJRHCW-UHFFFAOYSA-N
ID: 59012
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 59013
SMILES:c1(C2CCC=C2C)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.502
InChIKey:FMMWOCAEAOVTID-UHFFFAOYSA-N
ID: 59014
SMILES:Oc1c2c(O)cc(CCCCC)cc2c(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -18.603
InChIKey:PCWSKBUDKOXNAO-UHFFFAOYSA-N
ID: 59015
SMILES:c12c(cc(O)cc1C)OC(C)(C)C1CCC(C)=CCC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.33
InChIKey:QVWZQARSQINJPF-UHFFFAOYSA-N
ID: 59016
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)c(Br)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -17.596
InChIKey:CMFSVCZTLAQKRJ-UHFFFAOYSA-N
ID: 59017
SMILES:O(C(C)=O)CCC(C)CC(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -15.688
InChIKey:HXEZDBDFPLVXBC-UHFFFAOYSA-N
ID: 59018
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.265
InChIKey:KTPDAZGMXXWSMU-UHFFFAOYSA-N
ID: 59019
SMILES:O=C(C=C(C)C)c1c(O)c(C(O)=O)c(CCCCC)c(O)c1C1C=C(C)CCC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -15.84
InChIKey:NNJJTTBHDMPBHK-UHFFFAOYSA-N
ID: 59020
SMILES:C12(C)CCC3C(C)(C)C3C1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.347
InChIKey:BESBHHIUFZITCL-UHFFFAOYSA-N
ID: 59021
SMILES:O(C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=O)C1OC(CO)C(O)C(O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.484
CB1 binding score: -17.233
InChIKey:QXNNQIPOXAVJQB-UHFFFAOYSA-N
ID: 59022
SMILES:CC1C2=C(C(=O)C(C)CC2C(C)(CC(O)C=C(C)C)O)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.052
InChIKey:LAMREKGIPXIHEJ-UHFFFAOYSA-N
ID: 59023
SMILES:C1(CCC=C(C)C)=CC(c2c(O)cc(CCCC)cc2O)OC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.642
InChIKey:SPASQAHJKSUWKO-UHFFFAOYSA-N
ID: 59024
SMILES:c1(CCCCC)cc(O)c2c(c1O)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.391
InChIKey:VPLJVBJCTGJACJ-UHFFFAOYSA-N
ID: 59025
SMILES:C1=C(C)CCC(O)C(C)(C)Oc2c1c(O)cc(CCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -16.849
InChIKey:LYWQESHJTYKIPI-UHFFFAOYSA-N
ID: 59026
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 59027
SMILES:C1C(C)(C)C(c2cc(CCC(CC=C(C)C)(C)C=C)cc(O)c2)=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.562
CB1 binding score: -12.339
InChIKey:IDNJULAYVBZFBO-UHFFFAOYSA-N
ID: 59028
SMILES:C12C(C)(Oc3c(c(O)cc(CCC)c3)C1O)CCC1C(C)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.997
InChIKey:ZSLSMRJNZCVWNL-UHFFFAOYSA-N
ID: 59029
SMILES:OC1C(C)C2(C)Oc3c(cc(O)c(CC=C(CCC=C(C)C)C)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.871
InChIKey:RZSCCASERHNCSS-UHFFFAOYSA-N
ID: 59030
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.971
InChIKey:ZBNFBEZCFKBAGI-UHFFFAOYSA-N
ID: 59031
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N