ID: 89986
SMILES:c1(C)c(O)cc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.225
InChIKey:XUERFRQVGLONMR-UHFFFAOYSA-N
ID: 89987
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 89988
SMILES:C(c1c(CCC(=O)O)cc(O)c2c1OC(CCC=C(C)C)(C)C1C2C(O)C=C(C)C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -15.854
InChIKey:BRVUDWYFTAWLSG-UHFFFAOYSA-N
ID: 89989
SMILES:c12cc(CCCCC)cc(OC)c1OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.7
InChIKey:CXDMDOGDTCMJBD-UHFFFAOYSA-N
ID: 89990
SMILES:CC1=CC2c3cc(OC)ccc3OC(C)(C)C2CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -17.025
InChIKey:SOIAPXSNRINJCS-UHFFFAOYSA-N
ID: 89991
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.315
InChIKey:KBYTYTDGOXULCK-UHFFFAOYSA-N
ID: 89992
SMILES:C(c1cc(OC)c2c(c1)OC(C)(C)C1C(O)CC3(C)C(C12)C(C=O)=CC(OC(C)=O)C3)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.617
CB1 binding score: -15.125
InChIKey:OUMIKOYFAWRMMG-UHFFFAOYSA-N
ID: 89993
SMILES:COc1c(O)c(=O)c(C)c(C(=O)C(C)CC)c2c1C1C(C(C)(C)O2)CCC(CO)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -13.001
InChIKey:HESXCMBOXBXUHW-UHFFFAOYSA-N
ID: 89994
SMILES:C(O)C(=C)C1C(c2c(O)cc(CCCCCO)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.951
InChIKey:CZKOUOGMRCNBPR-UHFFFAOYSA-N
ID: 89995
SMILES:c1(C(O)C(C)C)cc(O)c2c(c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.286
InChIKey:NMOLCHVTPXYHTG-UHFFFAOYSA-N
ID: 89996
SMILES:C1(C)=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(C)=C)C(c2c(OC)cccc2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 419.609
CB1 binding score: -16.776
InChIKey:UZPWTLQSRDWNEN-UHFFFAOYSA-N
ID: 89997
SMILES:C1=C(C)CC2c3c(cc(CCCCC)c(O)c3OC1(C)C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.967
InChIKey:KLODNVTXOCOSMN-UHFFFAOYSA-N
ID: 89998
SMILES:C1=CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -13.834
InChIKey:BKTFWCWUMOYXRE-UHFFFAOYSA-N
ID: 89999
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 90000
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)(CCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.486
InChIKey:IIJDQSYZDBFDAW-UHFFFAOYSA-N
ID: 90001
SMILES:C(C(=O)CC(C)C)c1c2c(c(O)c(C(CC(CC)C)=O)c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.202
InChIKey:YNJDSSBVJFNCLV-UHFFFAOYSA-N
ID: 90002
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 90003
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C(=O)CC(C)C)C2(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -12.776
InChIKey:XHYKGRCPOHVYQR-UHFFFAOYSA-N
ID: 90004
SMILES:CC1(C)C2CCC(C(OC)=O)=CC2c2c(ccc(CC(O)C)c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.111
InChIKey:VFHVPHNTECGSBJ-UHFFFAOYSA-N
ID: 90005
SMILES:c1(C2C=C(C)CCC2C(C)(C)O)cc(O)c(CC=C(CCC=C(C)C)C)c(OC(C(C)=CC)=O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -16.041
InChIKey:ZPDANJVLWLCNQI-UHFFFAOYSA-N
ID: 90006
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC1(C)C(C(C)C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -17.129
InChIKey:RCRNHJCVDHQJQT-UHFFFAOYSA-N