ID: 114997
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 114998
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 114999
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O1)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.531
InChIKey:KRGBPWURFFDEEK-UHFFFAOYSA-N
ID: 115000
SMILES:C(CC=C(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: 115001
SMILES:C1=C(C)C2C3(C1)CCC(C(=C)C)C(CC1C(C)(C)O1)C3Oc1c(ccc(CCCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.718
CB1 binding score: -12.952
InChIKey:HVMNRUOHIUGKGI-UHFFFAOYSA-N
ID: 115002
SMILES:C1C(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)C2C=CCC(CCC)C1C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.157
InChIKey:JSVMDIFJXNZTFE-UHFFFAOYSA-N
ID: 115003
SMILES:C1(C)(C)C2C(c3c(O)cc(CCC)cc3O1)CC(C)=CC2C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.057
InChIKey:ZAMTWYKLPGXHKX-UHFFFAOYSA-N
ID: 115004
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.648
InChIKey:OZEZAIOWVDTRGI-UHFFFAOYSA-N
ID: 115005
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)c(C(=O)C)c(O)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.973
InChIKey:KJAIZRHSRWNTDV-UHFFFAOYSA-N
ID: 115006
SMILES:CC(C1CCC2(C)Oc3cc(CCCCC)cc(O)c3C12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.251
InChIKey:GIVNWDNDDALTHM-UHFFFAOYSA-N
ID: 115007
SMILES:C1=C(C)C(=O)C2C(CC(C)=C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -14.247
InChIKey:MYGCFKPCNTZYIV-UHFFFAOYSA-N
ID: 115008
SMILES:C1CC(C(C)=C)C(c2ccc(CCCCC)cc2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 115009
SMILES:C(Cc1cc(O)c(C2C=C(C)CC(C)(C)C2)c(O)c1C(=O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.573
InChIKey:QNCZJDNVRRBLGX-UHFFFAOYSA-N
ID: 115010
SMILES:C1CC(C)=CC(c2c(O)cc(C(=O)OC)c(C)c2)C1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.913
InChIKey:NIXWSFWUOQUNLK-UHFFFAOYSA-N
ID: 115011
SMILES:c12c(O)cc(CCCCC)cc1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 115012
SMILES:c1cc(C(=O)OC)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.365
InChIKey:WIWAFAIVJYRCPO-UHFFFAOYSA-N
ID: 115013
SMILES:C(c1c(CC=C(C)C)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.457
InChIKey:MXUPNJYBWHNWBU-UHFFFAOYSA-N
ID: 115014
SMILES:c1cc2c(cc1CCC)OC(C)(C)c1ccc(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 266.384
CB1 binding score: -16.47
InChIKey:YBIGPXUYHQTPBL-UHFFFAOYSA-N
ID: 115015
SMILES:C(C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 115016
SMILES:O=c1oc2c(c(C)cc3c2C2C=C(C)CCC2C(C)(C)O3)CC1(c1ccc(O)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.532
CB1 binding score: -14.605
InChIKey:LODZACISHLFHPQ-UHFFFAOYSA-N
ID: 115017
SMILES:c12c(C(OC)=O)c(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.978
InChIKey:LKLZAPSGDVLPGH-UHFFFAOYSA-N