ID: 42001
SMILES:C(Cc1c(CCCCC)cc2c(c1C)OC(C)(C)C1CCC(C)=CC21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.67
CB1 binding score: -15.15
InChIKey:CCQMKPYVQQQJDN-UHFFFAOYSA-N
ID: 42002
SMILES:Oc1c(CCC)cc(O)c(CC=C(CCC=C(C)C)C)c1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -19.204
InChIKey:VASHFISMDMQEIH-UHFFFAOYSA-N
ID: 42003
SMILES:C1=C2C(C)(C(=O)C=CC2(C)C)Oc2c(c(O)cc(CCCCC)c2)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.582
InChIKey:PHGJZSHOAZQAOI-UHFFFAOYSA-N
ID: 42004
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1OC=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.188
InChIKey:HUQSTCQDXZXXLS-UHFFFAOYSA-N
ID: 42005
SMILES:C(=CCCC(C)=CCc1c2c(ccc1C)OC(C)(C)C1C2C(O)C(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -14.234
InChIKey:LRUVVGOLXVQVPH-UHFFFAOYSA-N
ID: 42006
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1CCC(O)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.821
InChIKey:JWDSKJISCQFWJJ-UHFFFAOYSA-N
ID: 42007
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC2(C)C1CC=C(C)C2CC1C(C)(C)C(OC(=O)C)CCC1=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.819
CB1 binding score: -13.24
InChIKey:ZRGPOJQZTVXGQK-UHFFFAOYSA-N
ID: 42008
SMILES:C1(C)CC2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C2C(C)=CCC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.353
InChIKey:VRGVDKGUPMAIFQ-UHFFFAOYSA-N
ID: 42009
SMILES:CC(=CCc1c(O)c(O)c(C(=O)O)c(CCCCC)c1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.279
InChIKey:SPBBBNVMIYXEGK-UHFFFAOYSA-N
ID: 42010
SMILES:C(Cc1c(O)cc(CCC)cc1O)=C(C)CC=CC(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.639
InChIKey:YPQWGXMNDAZBBL-UHFFFAOYSA-N
ID: 42011
SMILES:C(OC)(C(C=O)C1CC=C(CCC=C(C)C)Cc2cc(CCCCC)cc(O)c21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.655
InChIKey:LHRZCMMYRUNWON-UHFFFAOYSA-N
ID: 42012
SMILES:C12(CO1)CCC(C(C)=C)C(c1c(O)cc(CCCCC)cc1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.842
InChIKey:YOCDERSXWFGFRV-UHFFFAOYSA-N
ID: 42013
SMILES:c1(CCCCC)cc2c3c(c1O)OC(C)(C)C1CCC(C)(CC1(O)C=C(C)CC2)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.723
InChIKey:ZNODHLOIJGRGSW-UHFFFAOYSA-N
ID: 42014
SMILES:C(C=C(C)C)CC(C)=CCc1c(O)cc(CCCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.784
InChIKey:QPUHYZGLKQWEKI-UHFFFAOYSA-N
ID: 42015
SMILES:Oc1c(C(CC2(C)OC(=O)CC2)C=C(C)C)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.717
InChIKey:VJLQNVVNPDMXKW-UHFFFAOYSA-N
ID: 42016
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 42017
SMILES:C(Cc1cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c(O)c1)=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.093
InChIKey:ZLYATTIPPGWLCG-UHFFFAOYSA-N
ID: 42018
SMILES:CC(C)(OCc1cc(CCCCC)cc2c1OC(C)(C)C1C2CC(C)(O)CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.646
CB1 binding score: -17.125
InChIKey:ZCDAWFBGMAPBTJ-UHFFFAOYSA-N
ID: 42019
SMILES:C1(C)(C)C2Cc3ccc(CCCCC)cc3OC2(C)C=CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.815
InChIKey:MGGABMAWNKPZOI-UHFFFAOYSA-N
ID: 42020
SMILES:C(CCCC)c1cc(C2C(C)C(CC)O2)cc(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -16.002
InChIKey:XXRUXIWTMVJAGO-UHFFFAOYSA-N
ID: 42021
SMILES:CC1(C)CCCC2(C)c3c(O)cc(C)cc3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.093
InChIKey:MGPPACJBMUXEFT-UHFFFAOYSA-N