ID: 76735
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 76736
SMILES:C1(C)(CC(OC)=O)C(Cc2c(OCC=C(C)C)cc(CCCCC)cc2O)C(=C)CCC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.72
CB1 binding score: -15.192
InChIKey:KTMKDPVJLSUDMA-UHFFFAOYSA-N
ID: 76737
SMILES:c1(O)c(C(=O)C(CC)C)c2c(c3c1OC(C(C)(C)O)C3)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -14.306
InChIKey:FZKMXLYVWZLXHG-UHFFFAOYSA-N
ID: 76738
SMILES:c1(O)cc(CCCCC)cc2c1-c1c(c(O)cc(CC=C)c1)CC2(C=CC=C(C)C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.605
CB1 binding score: -15.22
InChIKey:UTEKAARDOUMTSG-UHFFFAOYSA-N
ID: 76739
SMILES:C(CCC(C)=CCCC(C)=CC1C(CCCC)C(=O)CC(C)O1)c1cc(O)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.148
InChIKey:PTBXEOXGHUOQMR-UHFFFAOYSA-N
ID: 76740
SMILES:C(Oc1cc(CCCCC)ccc1C1(C)CCCC(C)(C)O1)C(C(CC)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.592
CB1 binding score: -16.375
InChIKey:FRQVPRONXQVWTC-UHFFFAOYSA-N
ID: 76741
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(O)cc(C)c(C(CC(C)C)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.029
InChIKey:HPOTXXBPUYKWJP-UHFFFAOYSA-N
ID: 76742
SMILES:CC1CC2c3c(cc(O)cc3C)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.346
InChIKey:GGFBUEDIKGICRY-UHFFFAOYSA-N
ID: 76743
SMILES:CC1(C)C(C(O)CC(C)=CCc2c(O)c(C)cc(OC)c2)=CC2CC(C)(OC1=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -13.872
InChIKey:MKJFBEZIMQOQKK-UHFFFAOYSA-N
ID: 76744
SMILES:C1(C)=CCCC(C)=CCCC(C)(C)Oc2c1ccc(CCCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -14.553
InChIKey:AWNSZUNGPKEYOQ-UHFFFAOYSA-N
ID: 76745
SMILES:C(C(C)C)=CCC1(C)Oc2c(cc(O)cc2C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.118
InChIKey:LUFAPJHKZHVTEI-UHFFFAOYSA-N
ID: 76746
SMILES:O=C(C(C)C(OC(N)=O)C(C)C)c1c(C2C=C(C)CCC2C(C)=C)cc(CCCCC)o1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 443.628
CB1 binding score: -15.828
InChIKey:IGQADLRQZMMPGO-UHFFFAOYSA-N
ID: 76747
SMILES:Oc1c(C2(C)C3(C)CC3C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.596
InChIKey:ODVCBFGYABIJJT-UHFFFAOYSA-N
ID: 76748
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 76749
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.892
InChIKey:WBFVHFCVGUDTNV-UHFFFAOYSA-N
ID: 76750
SMILES:C1(C)=CC2c3c(OC(=O)CC)c(OC(=O)C)c(O)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -6.474
InChIKey:CEUPFTNSROLJBL-UHFFFAOYSA-N
ID: 76751
SMILES:c12cc(Br)c(C)cc1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 389.333
CB1 binding score: -18.264
InChIKey:SIKQYFZCSBPDDA-UHFFFAOYSA-N
ID: 76752
SMILES:COc1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.646
InChIKey:XVUGWAOHFCDFRS-UHFFFAOYSA-N
ID: 76753
SMILES:CC(C)=CCCC1(C)Oc2cc(CCCCO)cc(O)c2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.929
InChIKey:NHMMTRZBBGOIBA-UHFFFAOYSA-N
ID: 76754
SMILES:C(CC(CCCC(C)=CCc1c(O)cc(O)c2c1OC(C)(C)C1C2CC(C)=CC1)C)CC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 468.722
CB1 binding score: -17.11
InChIKey:XBNCVCWXWATROE-UHFFFAOYSA-N
ID: 76755
SMILES:C(CCC(=CCc1c(O)c(C(=O)O)cc(CCCCC)c1)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N