ID: 50044
SMILES:COC(C1(C)C2C(C)(CCC1)C1C3c4c(cc(CCCCC)cc4OC31)OC2O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -17.442
InChIKey:ODEVAIMCDLILJQ-UHFFFAOYSA-N
ID: 50045
SMILES:c1(O)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 50046
SMILES:C(CC(C(=C)C)Cc1c(O)c2c(cc1O)OC1(C)C(C(C)(CCC3C(C)(C)O3)CC1)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -14.241
InChIKey:QQELQQRSCURPJG-UHFFFAOYSA-N
ID: 50047
SMILES:O(c1cc2c(cc1OC(C)=O)OC(C)(C)C1CC=C(C)CCC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.995
InChIKey:HLSRYZNPFQIMLA-UHFFFAOYSA-N
ID: 50048
SMILES:CC(C(=O)OCc1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.526
InChIKey:ZMWUXCNTRMYPAM-UHFFFAOYSA-N
ID: 50049
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 50050
SMILES:C1(c2c(O)cc(CCCCCO)cc2O)OC(C)(CCC=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -13.12
InChIKey:OZJVTPCOPKESLX-UHFFFAOYSA-N
ID: 50051
SMILES:C1CC2(C)CC3C1(c1c(O)c(C(O)=O)c(CCCCC)cc1O3)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -14.264
InChIKey:DNPKMYJYILDMHH-UHFFFAOYSA-N
ID: 50052
SMILES:CC12C(C(C(C)C)CC1)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.251
InChIKey:GIVNWDNDDALTHM-UHFFFAOYSA-N
ID: 50053
SMILES:CC1(CCC=C(C)C)C2c3c(O)cc(CCCCCO)cc3OC(C2(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.529
InChIKey:IMIMTBUPLWAFHO-UHFFFAOYSA-N
ID: 50054
SMILES:O(c1c(OC)c(C)cc2c1C1CC(CCC1C)C(C)(C)O2)C(=O)C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -12.506
InChIKey:SYLVCSJNPBSMPD-UHFFFAOYSA-N
ID: 50055
SMILES:C(O)C1=C2C(CC3C(C)(Oc4c(c(O)cc(CCCCC)c4)C3=O)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.007
InChIKey:BBNHHFOFSHGITR-UHFFFAOYSA-N
ID: 50056
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)C(C)(O)CC21O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.542
InChIKey:PIKHVCFXJKZKRP-UHFFFAOYSA-N
ID: 50057
SMILES:C(CC=C(C)C)C1(C)C(CCC(C(C)=O)=C)CC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -12.849
InChIKey:FDLZGAFEZAPCLC-UHFFFAOYSA-N
ID: 50058
SMILES:c1(O)c(O)cc(-c2c(O)cc(CCCCC)c3c2OC(C)(C)C2C3C=C(C(=O)OC)CC2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.574
CB1 binding score: -14.041
InChIKey:ZGWWKXGAZQYIMA-UHFFFAOYSA-N
ID: 50059
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.293
InChIKey:WAIFYTFDDBLEDM-UHFFFAOYSA-N
ID: 50060
SMILES:CC1=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 50061
SMILES:CC(C1C2C(c3c(O)cc(CCCCC)cc3O1)CC=C(C)C2O)=CCCC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -16.015
InChIKey:HCBRYTGQLKIWMT-UHFFFAOYSA-N
ID: 50062
SMILES:C(Cc1cc2c(c(O)c1)C1CC(C(C)=C)CCC1(C)O2)(C)=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.425
InChIKey:GYSPSUFOVAVSCZ-UHFFFAOYSA-N
ID: 50063
SMILES:Cc1c(C)cc2c(c1)C(C)(C)Oc1cccc(CCCCC)c1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.465
CB1 binding score: -16.304
InChIKey:YAHNQVPQQLZWRW-UHFFFAOYSA-N
ID: 50064
SMILES:Oc1cc(CCCCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N