ID: 21526
SMILES:c1(O)c2c(c(C(C)(C)C=C)cc1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.929
InChIKey:VGVLHKIVLSOEDZ-UHFFFAOYSA-N
ID: 21527
SMILES:CCCCCc1c(-c2c(O)c3c(c(C)c2)OC(C)(C)CC3CC(C)C)cc(O)c(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.841
InChIKey:KYUOIRDMTUBAHM-UHFFFAOYSA-N
ID: 21528
SMILES:C(C)(C)=CCC(O)C(CCCC(=CCc1c(O)cc(C)c(O)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.65
InChIKey:BSSIIMLQTPBUGK-UHFFFAOYSA-N
ID: 21529
SMILES:c12c(O)cc(CCCCC)cc1OC(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: 21530
SMILES:C(c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 21531
SMILES:OCC1(C)Oc2c(cc(CCCCC)c(O)c2)C2C1CCC(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.879
InChIKey:UEAHPLLNWFDUOP-UHFFFAOYSA-N
ID: 21532
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 21533
SMILES:C1(=C)C(O)C2c3c(O)cc(CCC)cc3OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: Not available
InChIKey:NBADQYPXDYYXDI-UHFFFAOYSA-N
ID: 21534
SMILES:CCCCCc1c(O)c2c(c3c1OC(C)(C)C1C3C=C(C)CC1)OCO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.718
InChIKey:ZRKAZLDQQWRLED-UHFFFAOYSA-N
ID: 21535
SMILES:O1C(=O)C(C)(C)CC12C(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.519
InChIKey:XSUUPIJEPOQERM-UHFFFAOYSA-N
ID: 21536
SMILES:CC1C2C(C(=O)OC1=O)c1c(cc(CCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.403
InChIKey:HFBVOLQTKXUXNV-UHFFFAOYSA-N
ID: 21537
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(=O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 21538
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc2c3C(O)=C(C(C(C)C)=O)C2=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.456
CB1 binding score: -15.923
InChIKey:XKXAJEHVTBHYLW-UHFFFAOYSA-N
ID: 21539
SMILES:C1=C(C)CC2C(C1)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.418
InChIKey:UEUDZYHJJLDGIZ-UHFFFAOYSA-N
ID: 21540
SMILES:C(CC)CCc1cc(O)c(C(=O)O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.971
InChIKey:NYAOGADUFDAWOY-UHFFFAOYSA-N
ID: 21541
SMILES:OC12c3c(cc(CCCCC)cc3O)OC(C)(C3C1C(C)(C)C3=O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.579
InChIKey:YZRUNCVMBMDCAV-UHFFFAOYSA-N
ID: 21542
SMILES:C1(C(=C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.931
InChIKey:LNQVJWHYLYRIGD-UHFFFAOYSA-N
ID: 21543
SMILES:C1(C2c3c(O)cc(CCCCCO)cc3OC2C=C(C)C)CC(O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -14.501
InChIKey:ULNFUGKHBHOLMP-UHFFFAOYSA-N
ID: 21544
SMILES:C(C=C(C)C)CC1(C)Oc2cc(CCC)cc(O)c2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 21545
SMILES:C(CC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 21546
SMILES:Oc1c2c(cc(CCC)c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.792
InChIKey:IEOYHNWUNCMPAY-UHFFFAOYSA-N