ID: 112813
SMILES:CC1(C)C=Cc2cc(C(O)=O)cc(CCCCCC)c2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.296
InChIKey:JFYUOOACOTZHHB-UHFFFAOYSA-N
ID: 112814
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)C(=O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 112815
SMILES:COc1c(C2C=C(C)CCC2C(C)=C)cc(CC[N+](C)(C)O)o1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.453
CB1 binding score: -15.55
InChIKey:VWOYKTVAPRAACV-UHFFFAOYSA-N
ID: 112816
SMILES:C12C(O)(C(=O)c3ccc(CCCCC)cc3OC1(C)C)CC(C)([CH])C(=O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -14.011
InChIKey:SGALIVVSUMKZFE-UHFFFAOYSA-N
ID: 112817
SMILES:C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1C(=O)C(C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -17.3
InChIKey:ARJFMIQWWZQJEJ-UHFFFAOYSA-N
ID: 112818
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -17.513
InChIKey:FXAXJSYQCBDMMN-UHFFFAOYSA-N
ID: 112819
SMILES:C1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 112820
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 112821
SMILES:C(C)(C)(O)C1C2(C(C)CC1)C(=O)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -13.582
InChIKey:PSONTUPIYRAATB-UHFFFAOYSA-N
ID: 112822
SMILES:C(CN)Cc1c(C2C=C(CO)CCC2C(C)=C)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 315.457
CB1 binding score: -14.32
InChIKey:BWYVHRDHONFKSK-UHFFFAOYSA-N
ID: 112823
SMILES:C1=C(C)CC2C(C(O)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.698
InChIKey:AZVHHKQKBOPFLW-UHFFFAOYSA-N
ID: 112824
SMILES:c1(CC(C)C)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.315
InChIKey:WTRKRGRMUBVMKA-UHFFFAOYSA-N
ID: 112825
SMILES:Oc1c(C2C=C(C)CCC2C(=C)C)c(OC)ccc1CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.593
InChIKey:SSBDCOAOUVLLBG-UHFFFAOYSA-N
ID: 112826
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C(=C)C)CCC(C)(O2)C1Br
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.364
CB1 binding score: -15.929
InChIKey:AMHKMOSLUFYCJQ-UHFFFAOYSA-N
ID: 112827
SMILES:O(c1cc(O)cc(O)c1C1C(C(C)=C)CCC(C)=C1)C=C(C)C(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -16.44
InChIKey:KNDDYWSQYOFQDZ-UHFFFAOYSA-N
ID: 112828
SMILES:C1(C(C)C)(O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.686
InChIKey:JXLOXQRGEOZDJN-UHFFFAOYSA-N
ID: 112829
SMILES:C1(C)(C)Oc2c(cc(CCCCC)cc2O)CC1C=CC(=CC1CC(C)=CC(=O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -13.893
InChIKey:RIOIPOVNGWZEKQ-UHFFFAOYSA-N
ID: 112830
SMILES:C(O)(C)(C=Cc1cc(CCCCC)cc(O)c1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.083
InChIKey:DNKAMZYUHQOBHG-UHFFFAOYSA-N
ID: 112831
SMILES:c1c2c(c(C)cc1CC(C(C)(C)O)O)-c1c(O)cc(CCC)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.537
InChIKey:MYQSGSWDCFYYFK-UHFFFAOYSA-N
ID: 112832
SMILES:C(C=CC(C)(O)C)C1(C)Oc2cc(CCc3cc(CCC)cc(O)c3)cc(CC=C(C)C)c2CC1CCC(O)C1CCCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 602.9
CB1 binding score: -13.6
InChIKey:KNYWOQGCCJWKJB-UHFFFAOYSA-N
ID: 112833
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(=O)CC(C(O)C=C(CCCC(=C)C)C)CC1(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -12.565
InChIKey:AQXBGVNKRWEFPL-UHFFFAOYSA-N