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Molecule Identifiers
Molecular Properties

ID: 121465

SMILES:
O=CS1CC(C)=CC1c1c(O)cc(CCCCC)cc1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.563

CB1 binding score: -16.502

InChIKey:
PWZLSFLJEMTGDR-UHFFFAOYSA-N

ID: 121466

SMILES:
C1(O)C(C)=CC(CC(C)=CCc2c(O)cc(C)cc2OC)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.438

InChIKey:
DRZYXQMJHWFWJQ-UHFFFAOYSA-N

ID: 121467

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1Oc1c(OC)cc(CC=C)cc1)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.674

CB1 binding score: -15.421

InChIKey:
FZOUGYRTQJJLNW-UHFFFAOYSA-N

ID: 121468

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CC(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.998

InChIKey:
PDVFZZOZSVUPFE-UHFFFAOYSA-N

ID: 121469

SMILES:
c1(O)c(OC)c(C(C)C)cc2c1C1(C=O)C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.754

InChIKey:
UWDHUGLNFZZTJI-UHFFFAOYSA-N

ID: 121470

SMILES:
CCCc1cc(O)c(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -16.119

InChIKey:
BEZBBSGWQXJPJV-UHFFFAOYSA-N

ID: 121471

SMILES:
C(=O)(c1c(O)cc(O)c2c1OC(C)(C)C1C2CC(C)=CC1)OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -16.015

InChIKey:
JVSYWQXHTIBXRL-UHFFFAOYSA-N

ID: 121472

SMILES:
C(c1c2c(c(O)c(C(=O)C=C(C)CCC=C(C)C)c1O)C1C(C(C)(C)O2)CCC(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.564

CB1 binding score: -16.623

InChIKey:
UDRKAXHSCUCVRF-UHFFFAOYSA-N

ID: 121473

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C=CC(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.68

CB1 binding score: -15.868

InChIKey:
KMRLXERQRORZSZ-UHFFFAOYSA-N

ID: 121474

SMILES:
C(Cc1cc(O)c(CC2C(C)(C)CCCC2=C)c(O)c1)CCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.647

CB1 binding score: -15.076

InChIKey:
GBPYZAJURWSOSO-UHFFFAOYSA-N

ID: 121475

SMILES:
C1C(C)=CC2C(=C1)c1c(O)cc(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -15.513

InChIKey:
NTAGTSPHKHQGNN-UHFFFAOYSA-N

ID: 121476

SMILES:
C(CN=C(N)N)Sc1c(C2C=C(C)CCC2C(C)=C)c(O)cc(O)c1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 429.63

CB1 binding score: -12.197

InChIKey:
YCSKYDFFFZJIGL-UHFFFAOYSA-N

ID: 121477

SMILES:
c1(O)c(C2OC(CC(=O)C)C(C)CC2C=C(C)C)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -18.433

InChIKey:
RXRNFFZKTBRCKW-UHFFFAOYSA-N

ID: 121478

SMILES:
c1(OC)c2c(cc(C(C)C(=O)CC)c1C)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.702

InChIKey:
BGKBUKIZXOEGGO-UHFFFAOYSA-N

ID: 121479

SMILES:
c1(C=CC(C)O)cc(OC)c(C2C=C(C)CCC2C(=C)C)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.491

InChIKey:
WUYXVOYSVPACSW-UHFFFAOYSA-N

ID: 121480

SMILES:
COc1c(O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.841

InChIKey:
LIELCHJKWOVYEW-UHFFFAOYSA-N

ID: 121481

SMILES:
CC1C(OC(C)=O)c2c(OC)c(O)c(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -11.786

InChIKey:
ADNXINUIQVHFOD-UHFFFAOYSA-N

ID: 121482

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C=C(CCC=C(C)C)COC1=C(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -16.424

InChIKey:
FWUAGTJQUCERRS-UHFFFAOYSA-N

ID: 121483

SMILES:
C1(C)(C)OCC2C1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.605

InChIKey:
XJSHVRXGHLLMMA-UHFFFAOYSA-N

ID: 121484

SMILES:
C12(C)CCC(C)CC1Cc1c(c(C(O)=O)c(CCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.477

InChIKey:
UBKSRFANQLDIEW-UHFFFAOYSA-N

ID: 121485

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

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121465–121485 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