ID: 97693
SMILES:C1(C)=C(C(C=C(C)C)OC)OC2Cc3c(c(C)cc(OC)c3)OC21C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.109
InChIKey:SMOPIUNYKJQHSL-UHFFFAOYSA-N
ID: 97694
SMILES:C12(C)c3c(c(O)c4c(c3)C(OC)OC1=O)OC(C)(C)C1C(C4)OC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.352
CB1 binding score: -16.687
InChIKey:BWFYYEZKMAIGDG-UHFFFAOYSA-N
ID: 97695
SMILES:CC(C)=CCCC1(C)Oc2c(c(O)cc(CCC)c2)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 97696
SMILES:C1C(C(C)=C)C(c2oc3c(c(OC)cc(CCC(O)C)c3)c2O)C=C(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.553
InChIKey:BKYUKDCTPMHSEK-UHFFFAOYSA-N
ID: 97697
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(COC(C)=O)C1C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.735
InChIKey:AIAYFZWWHPJREG-UHFFFAOYSA-N
ID: 97698
SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.427
InChIKey:UTXVBEHMQGNODO-UHFFFAOYSA-N
ID: 97699
SMILES:CC1(C)Oc2cc(O)c(C(OC)=O)c(O)c2C2C1CCC(C)=CCCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.882
InChIKey:BGUQSQMOCXIDSM-UHFFFAOYSA-N
ID: 97700
SMILES:C12C(O)(C)CCC1C(C)(C)Oc1c2cc(CCc2ccccc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -15.258
InChIKey:LUTWBTNIRIHGAE-UHFFFAOYSA-N
ID: 97701
SMILES:C(=CCCC(=CCC(O)C(=CCc1c(O)c(CCC)cc(O)c1)C)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.112
InChIKey:JKDCMJDTMWHURU-UHFFFAOYSA-N
ID: 97702
SMILES:CC(CCC=C(C)C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 97703
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.465
InChIKey:VAHVQIKQDGAFDP-UHFFFAOYSA-N
ID: 97704
SMILES:c12c3c(ccc1C)-c1c(cc(CCCCC)cc1O)OC(C)(C)C3=CC1=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.669
CB1 binding score: -14.057
InChIKey:GWHJAXXXAWEIHX-UHFFFAOYSA-N
ID: 97705
SMILES:C(Cc1cc(CC=C(CCC=C(C)C)C)c(O)cc1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 97706
SMILES:C1(C)=CC2C(CC(=O)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.302
InChIKey:AQOIQWXUJKTMIO-UHFFFAOYSA-N
ID: 97707
SMILES:O(C1C(=C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1)C(=O)C=Cc1ccc(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.705
CB1 binding score: -18.936
InChIKey:AUFGBGMVPWQZLE-UHFFFAOYSA-N
ID: 97708
SMILES:C1C(C)=C2C(C=C(C)C)Oc3c(c(O)cc(CCCCC)c3)C2C(OC)C2=C(C1O)C1C(C1C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.754
CB1 binding score: -16.109
InChIKey:RIMZVBYADUPKEZ-UHFFFAOYSA-N
ID: 97709
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C(=O)OCC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.779
InChIKey:KRAJFNPFPGTLMO-UHFFFAOYSA-N
ID: 97710
SMILES:CC(CCC1C(CC(O)=O)(C)CC(Oc2c(C)cc(O)cc2C)Oc2ccc(O)cc21)(O)C=CC(C(C)(C)O)OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 600.705
CB1 binding score: -13.408
InChIKey:LQDOTTSISSVASC-UHFFFAOYSA-N
ID: 97711
SMILES:c1(C2C(C(=C)C)C(c3c(OC)ccc(CC[N+](O)(C)C)c3)CC(C)=C2)c(C)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.617
CB1 binding score: -15.929
InChIKey:XFWXNKKMKAIMQC-UHFFFAOYSA-N
ID: 97712
SMILES:C(CCCC(C)CCC(C)CC)Cc1c(O)c2c(cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 442.684
CB1 binding score: -13.895
InChIKey:PNZYIVHUXWHJNU-UHFFFAOYSA-N
ID: 97713
SMILES:C1C=C2C(C)(CCc3cc(C(C(CC(=O)C=C(C)C)(C)O)CC(=O)O)cc(OC)c3)C(=O)C(O)C2C2(C)CC1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 554.68
CB1 binding score: -15.491
InChIKey:AVGQKABJYMCWEH-UHFFFAOYSA-N