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Molecule Identifiers
Molecular Properties

ID: 135367

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135368

SMILES:
CC1(C)C2CC=C(C(=O)O)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 135369

SMILES:
C1(C=C(C)CO)c2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.086

InChIKey:
WNZZZFDPGYMJPV-UHFFFAOYSA-N

ID: 135370

SMILES:
C(C)(C1CCC2(C)CC1c1c(O)cc(CCCCC)cc1O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.385

InChIKey:
OEDPJGVWHANUAE-UHFFFAOYSA-N

ID: 135371

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 135372

SMILES:
COc1cc(C)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -19.478

InChIKey:
WLKIXSCTQBBZSZ-UHFFFAOYSA-N

ID: 135373

SMILES:
CC1=CC(c2cc(CCCCC)ccc2O)C(C(C)=C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.649

InChIKey:
YURDJBGSSPXBGX-UHFFFAOYSA-N

ID: 135374

SMILES:
O1C(C)(C)C=Cc2c(O)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 135375

SMILES:
C12(C)CCC3C1C(C)(C)Oc1cc(C)cc(OC)c1C23

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.285

InChIKey:
GQARJLUEVLMUSN-UHFFFAOYSA-N

ID: 135376

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

ID: 135377

SMILES:
O=C(O)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -17.558

InChIKey:
OUKBHLQYTHARQB-UHFFFAOYSA-N

ID: 135378

SMILES:
C1=CC(C(C)=C)C(c2ccc(CCCCC)cc2)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.455

CB1 binding score: -18.191

InChIKey:
BWMBJKMFWASZPD-UHFFFAOYSA-N

ID: 135379

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2OC)CC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -13.307

InChIKey:
YZVLADQKRFEQIA-UHFFFAOYSA-N

ID: 135380

SMILES:
c12c(c3c(c(O)c1)C(C)CO3)C1C(CCC(C)=CCC1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.943

InChIKey:
IGOYAFUYINZQQP-UHFFFAOYSA-N

ID: 135381

SMILES:
CNCc1cc(O)cc(C2C(C(C)=CCC=C(C)C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 339.523

CB1 binding score: -12.635

InChIKey:
HIZFNLMHITYWMC-UHFFFAOYSA-N

ID: 135382

SMILES:
OC1(C)CCC(OC(=O)C)C(C)(C)C1c1cc(CCCCCC)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -12.662

InChIKey:
LTPHHAYVWSAJSU-UHFFFAOYSA-N

ID: 135383

SMILES:
c1(OC)cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.401

InChIKey:
YRXZLRWBEYIBHE-UHFFFAOYSA-N

ID: 135384

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 135385

SMILES:
C(c1cc(O)c(C2CC3C(=C)C(=O)OC3CC2C)c(O)c1)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.753

InChIKey:
LFLONZLLUHBMKI-UHFFFAOYSA-N

ID: 135386

SMILES:
C(C)(CCC=C(C)C)C1=CC(=O)C2=C(C1=O)OC1C(=C2)C(O)=C2OC(C)(C)C3CC=C(C)CC32O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.585

CB1 binding score: -14.605

InChIKey:
XVTVADUFJYCNBR-UHFFFAOYSA-N

ID: 135387

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(C(=O)O)CC(CC=C(C)C)C1=C(C)C=C2)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -15.182

InChIKey:
UWPSAHRNIYQTKY-UHFFFAOYSA-N

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135367–135387 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties