ID: 113884
SMILES:C1CC2(CCC1C(C)=C)Cc1c(O)c(C(=O)O)c(CCC)cc1OC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.015
InChIKey:HXSZWGZGMPFYMH-UHFFFAOYSA-N
ID: 113885
SMILES:C1C23C(C(C)C)(CCC2(C)Oc2cc(CCCCC)cc(c2)O1)C=C(C(C)C)C3=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.431
InChIKey:HTIYVBDDYQEBBW-UHFFFAOYSA-N
ID: 113886
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 113887
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(O)C(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.282
InChIKey:XKFAAODTJCPNOC-UHFFFAOYSA-N
ID: 113888
SMILES:CC(CCC=C(C)C)=CCc1c(OC)cc(CCCCC)cc1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -17.603
InChIKey:YZKQMWSCGWMLJI-UHFFFAOYSA-N
ID: 113889
SMILES:C12CC3CCOC3OC1(C)Oc1c2c(O)cc(C)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.305
CB1 binding score: -12.209
InChIKey:SSZXEJKYNGZLRM-UHFFFAOYSA-N
ID: 113890
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.624
InChIKey:SFKCWCDDXYSANA-UHFFFAOYSA-N
ID: 113891
SMILES:C(=O)(C12OC(C)(C=CC1C(C)=C)CC2Br)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 449.385
CB1 binding score: -13.744
InChIKey:FDMKAMJQHXKRJO-UHFFFAOYSA-N
ID: 113892
SMILES:C1C(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.813
InChIKey:YJVCZGPCBNNEJU-UHFFFAOYSA-N
ID: 113893
SMILES:c1c(C(O)=O)c(O)c2c(c1CCCC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.818
InChIKey:NPCOSLGWIJPVMU-UHFFFAOYSA-N
ID: 113894
SMILES:c1(C2C(C(C)=C)CCC(C)=C2)cc(OC)cc(OC)c1Cl
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.833
CB1 binding score: -14.7
InChIKey:HRIHJSHKDWDYQI-UHFFFAOYSA-N
ID: 113895
SMILES:Oc1cc(CCCCC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 113896
SMILES:C=C1C(C)(C)C2CC1c1c(O)cc(CCC)cc1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -14.852
InChIKey:GWKQRVZJJIIWPT-UHFFFAOYSA-N
ID: 113897
SMILES:c12oc(C)cc1C(=O)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -15.075
InChIKey:VHQVCJDJCHRYLQ-UHFFFAOYSA-N
ID: 113898
SMILES:CC(c1cc(O)c2c(c1)OC(C)(C)C1C2(C)CCC1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.227
InChIKey:YMAIHPZYEBYERS-UHFFFAOYSA-N
ID: 113899
SMILES:C1#CCCC(=O)OC(C)(C)C2CCC(C)=CC2c2c(C)n3c(c21)cccc3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 361.485
CB1 binding score: -15.424
InChIKey:MJNQHBNMXNKACJ-UHFFFAOYSA-N
ID: 113900
SMILES:C12C(c3c(O)cc(CCC)cc3OC1(C)C)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 113901
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)C)CCC(C)(C1)C(=C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.026
InChIKey:WDZRMDWPGSRZQI-UHFFFAOYSA-N
ID: 113902
SMILES:C1C(C(C)C)C2Oc3cc(CCCCC)cc(O)c3C2CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -13.996
InChIKey:MZEMVELIQRGYMV-UHFFFAOYSA-N
ID: 113903
SMILES:Oc1cc2c(cc1CCC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.123
InChIKey:LRWQJVULTGKWJK-UHFFFAOYSA-N
ID: 113904
SMILES:C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.855
InChIKey:KBTNQOVTNZTJGJ-UHFFFAOYSA-N