ID: 67600
SMILES:O=C(OC(C)(C)CCC=C(C)C1CCC2Oc3cc(CCCCC)cc(O)c3CC2C=C1C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -13.183
InChIKey:PRVOMDOLXVJMFU-UHFFFAOYSA-N
ID: 67601
SMILES:C12(C)C(=CC=C(C)CC1c1c(O)cc(CCCCC)cc1O)C(C)(C)OC(CC(C)=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -16.302
InChIKey:GYTAVQYBHLSVHM-UHFFFAOYSA-N
ID: 67602
SMILES:CCCCCc1c(C(O)=O)cc2c(c1O)C1=C(CCC(C)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.778
InChIKey:VYIPFYKAPZQVQA-UHFFFAOYSA-N
ID: 67603
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 67604
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)C(O)C(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 67605
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 67606
SMILES:c1(O)cc(CCCCC)c(C=O)c2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.391
InChIKey:HYDSRNRNVWHMIB-UHFFFAOYSA-N
ID: 67607
SMILES:C1(=O)CC(C)C2(Oc3c(c(O)cc(CCCCCCOC)c3)C2)C(C)(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -14.146
InChIKey:KEBFKQCUJKQUKQ-UHFFFAOYSA-N
ID: 67608
SMILES:c1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(=C)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.208
InChIKey:BRYUMLGHMHURAK-UHFFFAOYSA-N
ID: 67609
SMILES:C(CCC(c1c(O)cc(CCCCC)cc1O)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 290.447
CB1 binding score: -17.404
InChIKey:LIFOCERVKVJSNG-UHFFFAOYSA-N
ID: 67610
SMILES:O=C1OC2C(O)C(O)(CC(OC)=O)C1c1c(O)cc(CCCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.42
CB1 binding score: -15.375
InChIKey:GHGHOOAYWMMZHN-UHFFFAOYSA-N
ID: 67611
SMILES:c1(CC=C(C)CCC2C(C)(C)O2)c(O)cc(CCCCC)c(C(O)=O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -14.691
InChIKey:NUPGTZMJDFFJLN-UHFFFAOYSA-N
ID: 67612
SMILES:C(CC)CCc1cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 67613
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: 67614
SMILES:C1(c2c(O)cc(CCCCC)cc2O)OC(C)(CCC=C(C)CCC=C(CCC=C(C)C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.749
CB1 binding score: -16.406
InChIKey:KVECOZWAZPCMRC-UHFFFAOYSA-N
ID: 67615
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 67616
SMILES:C1(=C)CCC(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.034
InChIKey:KEWOCAMNSFJXOQ-UHFFFAOYSA-N
ID: 67617
SMILES:c1(C2=C3C4(OC(=O)C(C)C42)OCCO3)cc(CCCCC)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.629
CB1 binding score: -12.808
InChIKey:ZFPDSQCNDPJJKO-UHFFFAOYSA-N
ID: 67618
SMILES:Oc1cc(CCC)c(O)c(O)c1C1C(C(C)=C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.36
InChIKey:ZLFVBJCRBPVJKE-UHFFFAOYSA-N
ID: 67619
SMILES:C(CCCC)=Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.774
InChIKey:OAXUHIYWRRFWIX-UHFFFAOYSA-N
ID: 67620
SMILES:O1c2c(cc(CCCCC)cc2O)C(O)C2(C)CCCC12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.704
InChIKey:MEHGTMCMRKJEHH-UHFFFAOYSA-N