ID: 31984
SMILES:C(CCCC)c1cc2c(c(OC)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 31985
SMILES:c1(CCCCC)c(O)cc2c(c1O)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.178
InChIKey:QGOQBAPWMFNGTE-UHFFFAOYSA-N
ID: 31986
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(COC(C)=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.773
InChIKey:ILHSUWMZKIAMCQ-UHFFFAOYSA-N
ID: 31987
SMILES:CCCCCc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(COC(C)=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.425
InChIKey:WCNCDBFXYVZFSK-UHFFFAOYSA-N
ID: 31988
SMILES:c1(CC2C(C)=CC(c3c(OC)ccc(CC[N+](O)(C)C)c3)C(C(=C)C)C2)ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.617
CB1 binding score: -12.655
InChIKey:CNUHVTWHVMWLBP-UHFFFAOYSA-N
ID: 31989
SMILES:C12C(C)(C)Oc3c(cccc3)C1C(C(C)CCC=C(C)C)CC(O)C(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -12.848
InChIKey:JSLIXASESANVFH-UHFFFAOYSA-N
ID: 31990
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 31991
SMILES:C1(CC=C(C)C=O)C(C)(C)Oc2cc(CCCCC)c(O)c(C(OC)=O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -20.09
InChIKey:NNXVGLMVEUVRSJ-UHFFFAOYSA-N
ID: 31992
SMILES:c12c(c(CCCCC)cc(OC(=O)C)c1)OC(C)(C)C1=C2C2=C(C1=O)C(O)C1C3(C)CCCC(C)(C)C3(O)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 592.773
CB1 binding score: -15.928
InChIKey:MYFGQSCSQLYAGA-UHFFFAOYSA-N
ID: 31993
SMILES:CCCCCCc1cc(O)c2c(c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.327
InChIKey:KCHDGNWQYWLSBR-UHFFFAOYSA-N
ID: 31994
SMILES:C(CC=O)c1c(O)c2c(c(C(=O)C(C)C)c1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -9.38
InChIKey:IFIAMVKYVFCSCM-UHFFFAOYSA-N
ID: 31995
SMILES:c1n(CCCC)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 273.42
CB1 binding score: -14.387
InChIKey:NTKQKOJOCHFSCC-UHFFFAOYSA-N
ID: 31996
SMILES:c1c(CCCCC)cc(O)c2c1OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 31997
SMILES:C1(C(C)C)C(c2c(O)cc(CC)cc2O)OC(C)(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -13.741
InChIKey:VNBOIFIJZMFNPI-UHFFFAOYSA-N
ID: 31998
SMILES:C1(OC)c2c(cc(CCCCC)cc2O)OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -15.731
InChIKey:VHWLYWGHLGKFDY-UHFFFAOYSA-N
ID: 31999
SMILES:CC1CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 32000
SMILES:CCCCCc1cc2c(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: 32001
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1CC(C)(CCC1C(=C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.354
InChIKey:LOTJAJIHOKJTOT-UHFFFAOYSA-N
ID: 32002
SMILES:C(C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC=C(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.147
InChIKey:NDFCLDKTINFPHF-UHFFFAOYSA-N
ID: 32003
SMILES:c1(CCCC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C=O)c(O)c1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.552
InChIKey:XANLPZFQTLOWHS-UHFFFAOYSA-N
ID: 32004
SMILES:C(CCC(=CCc1c(OC)cc(CCCCCC)cc1O)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -18.607
InChIKey:UHCTYPZAFAWOOW-UHFFFAOYSA-N