ID: 40006
SMILES:C(C=CC1(CC=C(C)C)c2ccc(O)cc2OC1(CO)C)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -20.386
InChIKey:GROXKIPLLQQGPQ-UHFFFAOYSA-N
ID: 40007
SMILES:O(c1cc(CCCC)cc2c1C1(O)C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.845
InChIKey:KJOYPVOAKJVROB-UHFFFAOYSA-N
ID: 40008
SMILES:O=C1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.344
InChIKey:HXKYFXOPUYNBGA-UHFFFAOYSA-N
ID: 40009
SMILES:C12COc3c(c(O)cc(CCCCC)c3)C3C(C(C)=CCC3C(C)=C)C(O)C1(O)C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -13.112
InChIKey:SBGFCWALKQYSOA-UHFFFAOYSA-N
ID: 40010
SMILES:c1(CC(O)=O)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -17.362
InChIKey:YIZBSHBIMWJGIW-UHFFFAOYSA-N
ID: 40011
SMILES:C12CCC(C)=CC1C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 258.361
CB1 binding score: -17.105
InChIKey:HKGWXRCXPYRUMA-UHFFFAOYSA-N
ID: 40012
SMILES:c1(C=O)cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.327
CB1 binding score: -14.925
InChIKey:GSOHIQHRWCJAQZ-UHFFFAOYSA-N
ID: 40013
SMILES:O=Cc1c(O)c(C(C(CC)C)=O)c(O)c2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.74
InChIKey:DNMUGHTWUATEDR-UHFFFAOYSA-N
ID: 40014
SMILES:CC1c2c(cc(C)c(O)c2)-c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -16.197
InChIKey:OHDXBYOMIKYWHS-UHFFFAOYSA-N
ID: 40015
SMILES:C(CCCc1cc2c(c(O)c1)C(CO)C(C[N+]1=CCOC1=O)C2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.42
CB1 binding score: -15.195
InChIKey:IHBWHEMCEWJENZ-UHFFFAOYSA-O
ID: 40016
SMILES:c1(O)c2c(cc(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.624
InChIKey:ZZWZWPVQXHMOQM-UHFFFAOYSA-N
ID: 40017
SMILES:C(C)CCCc1cc(O)c2c3c1OC1(C)C(C3CC(=C(C)C)C(=O)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.072
InChIKey:GRJIDFBGILKPQL-UHFFFAOYSA-N
ID: 40018
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.354
InChIKey:OJTMRZHYTZMJKX-UHFFFAOYSA-N
ID: 40019
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C(=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.771
InChIKey:VGSHJKOXKGYENI-UHFFFAOYSA-N
ID: 40020
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 40021
SMILES:C(C(=CC)C)c1c(O)c2c(c(C(=O)CCc3ccccc3)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.614
CB1 binding score: -13.675
InChIKey:KKSWNWSWJWQRLF-UHFFFAOYSA-N
ID: 40022
SMILES:Oc1cc(CCCCC)cc2c1C13C(C(C)(C)CC1C=C(C)C2=O)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.897
InChIKey:LWFBZGDJPXOJIK-UHFFFAOYSA-N
ID: 40023
SMILES:C1(C)(O)C2C3c4c(O)cc(C)cc4OC(C)(C)C3CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.527
InChIKey:FEQUBCBXMGLLHE-UHFFFAOYSA-N
ID: 40024
SMILES:C1(CC=CC(C)(C)O)(C)Oc2c(c(O)cc(C(C)C(C)C)c2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.995
InChIKey:YXGCSAAMGWBRJE-UHFFFAOYSA-N
ID: 40025
SMILES:Oc1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 40026
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(O)CCC=C(C)CO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.98
InChIKey:PTBCDSUUKBTYHK-UHFFFAOYSA-N