ID: 9451
SMILES:CCCCCc1cc2c(c(O)c1)C1(O)C(=O)C(C)(CC3C(O)(C)CCC3C(C)(C)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -16.336
InChIKey:IFWUERPCSYJKHD-UHFFFAOYSA-N
ID: 9452
SMILES:CC1=C2C(c3c(cc(CCCCC)c(C=O)c3O)OC1(C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -10.788
InChIKey:WZWTXCGWWNBDGG-UHFFFAOYSA-N
ID: 9453
SMILES:C1(C(O)C)CC(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.479
InChIKey:VAPIFWXYOPSUSH-UHFFFAOYSA-N
ID: 9454
SMILES:C1CC(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.59
CB1 binding score: -15.89
InChIKey:CQZVXEYMQAJLMD-UHFFFAOYSA-N
ID: 9455
SMILES:COC(=O)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(OC(=O)C)C2OC(=O)C(=CC2=O)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 554.636
CB1 binding score: -14.372
InChIKey:LPZUGDYCDADGJJ-UHFFFAOYSA-N
ID: 9456
SMILES:Oc1cc(CCCCC)ccc1C1C(C(C)C)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.425
InChIKey:CUBYMHKAHNSHAM-UHFFFAOYSA-N
ID: 9457
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1(O)CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.56
InChIKey:VBPOXSBFZQHISD-UHFFFAOYSA-N
ID: 9458
SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -17.408
InChIKey:BIAGENGPCJIQFJ-UHFFFAOYSA-N
ID: 9459
SMILES:Cc1c(C(=O)OC)c(O)c(C2OC(CCCCCCCC)(C)C3C2C=C(C)CC3)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -18.522
InChIKey:DBVRPPXSVLXSLJ-UHFFFAOYSA-N
ID: 9460
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.488
InChIKey:DRBOYSNODSSITK-UHFFFAOYSA-N
ID: 9461
SMILES:C12c3c(cc(CCCCCOC)cc3O1)OC(C)(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -12.282
InChIKey:ZQMMOXCCPDNQBC-UHFFFAOYSA-N
ID: 9462
SMILES:O(c1cc(O)c(CC=C(C)C)c(OC)c1C1C=C(C)CCC1C(=C)C)Cc1cc(O)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -16.695
InChIKey:RCSJOUYXBPNHDL-UHFFFAOYSA-N
ID: 9463
SMILES:C1=C(C)CCC(O)C2(C)Oc3c(c(O)cc(CCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.642
InChIKey:QWJLTZWACYIOOB-UHFFFAOYSA-N
ID: 9464
SMILES:C1(C)C2(Oc3c1c(O)cc(CCCCC)c3)C1(C)C(CC2O)C(C)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -11.888
InChIKey:VPTHHBIGPUCOSQ-UHFFFAOYSA-N
ID: 9465
SMILES:C1(=O)CC2(c3c(cc(CCCCC)cc3O)OC2(C)C)OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -14.495
InChIKey:QXYDIUTUEJJZGF-UHFFFAOYSA-N
ID: 9466
SMILES:C1(C)(CC=CC(C)(O)CCC2OC2(C)C)Oc2c(cccc2)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.105
InChIKey:CJVSFTLPJCIFQB-UHFFFAOYSA-N
ID: 9467
SMILES:C(=C1C(=O)CC(C)CCC(O)C(C)=CC2c3c(OC)cc(CCCCC)cc3OC(C2)C(C)(C)O1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.731
CB1 binding score: -12.069
InChIKey:RZGOVRRPOLLMGH-UHFFFAOYSA-N
ID: 9468
SMILES:O(C(C12C(=CC(c3c(O)cc(CCCCC)cc3OC(=O)CC)C2)C(=O)C=C2C1C(C(=CC)C)OC2=O)=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.621
CB1 binding score: -11.814
InChIKey:VTTBGGQWTWMEFI-UHFFFAOYSA-N
ID: 9469
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1=C2C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.753
InChIKey:OAHHZUDLEHBUGH-UHFFFAOYSA-N
ID: 9470
SMILES:C(=CCCCCCCCC(=O)OCc1c(CCCCC)cc2c(c1O)C1C(CCC(COC)=C1)C2(C)C)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.785
CB1 binding score: -12.832
InChIKey:JZTWRIRIQIWKHI-UHFFFAOYSA-N
ID: 9471
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C13C2C(CC(O)C1C)C([N+]#[C-])(C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 411.586
CB1 binding score: -15.374
InChIKey:XAMDLTJXDVQUOU-UHFFFAOYSA-N