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Molecule Identifiers
Molecular Properties

ID: 54181

SMILES:
c1(OC)ccc(O)c(C2C=C(C)CCC2C(=C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.273

InChIKey:
QQKRWAQYJVGZFH-UHFFFAOYSA-N

ID: 54182

SMILES:
C(=CCc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(C(=O)CCC)c1O)C=C(CCC=C(C)CCl)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 511.146

CB1 binding score: -15.373

InChIKey:
RAIVOPUBUNBHEY-UHFFFAOYSA-N

ID: 54183

SMILES:
OCC1(C)c2cc(O)c(C)cc2OC(C)(C)C1CCC(C(C)(C)O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.471

CB1 binding score: -15.229

InChIKey:
RACBBNXMUIVZMW-UHFFFAOYSA-N

ID: 54184

SMILES:
C1(C)(C)CC(O)CC2(C)Oc3c(c(O)cc(CCCCC)c3O2)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -14.965

InChIKey:
LIXGXLDPHSAUGW-UHFFFAOYSA-N

ID: 54185

SMILES:
C(CCCC)Cc1cc2c(c(O)c1C=O)C1C(C(C)(C)O2)CCC(C)(O)C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -14.625

InChIKey:
RORVMHRYOCNJPR-UHFFFAOYSA-N

ID: 54186

SMILES:
CC1(C)Oc2cc(CCCCC)c(O)c(O)c2C2CC3(C(=O)O2)C(O)CCC(C)C31

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.53

CB1 binding score: -13.012

InChIKey:
AETHFBVJSAGZTC-UHFFFAOYSA-N

ID: 54187

SMILES:
C1CC2C(C=C1C)c1c(O)cc(CCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 54188

SMILES:
Oc1c(C(O)=O)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 54189

SMILES:
C(CC)CCc1cc(OC)c(C2C(C(=C)C)CCC(C)=C2)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.878

InChIKey:
UYBGHBAVRNATET-UHFFFAOYSA-N

ID: 54190

SMILES:
CC1(C)Oc2c(c(O)cc(CCC)c2)-c2ccccc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.356

CB1 binding score: -17.834

InChIKey:
ZLHQMHUXJUPEHK-UHFFFAOYSA-N

ID: 54191

SMILES:
C(c1c(O)c(CC=C(C)CCC=C(C)CO)cc(O)c1)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.846

InChIKey:
XCFMIWIAGQOTGF-UHFFFAOYSA-N

ID: 54192

SMILES:
C12c3c(cc(CCCCC)cc3O)OC(C)(C)C3C1C(C)(C(c1cc(O)c(C)c(O)c1C(=O)C(C)C)C2)CCC3C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 562.791

CB1 binding score: -18.135

InChIKey:
PQJADYZWVUCQFZ-UHFFFAOYSA-N

ID: 54193

SMILES:
CP(C)(=O)Oc1cc(CCCCC)cc2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.504

CB1 binding score: -14.742

InChIKey:
XBYHABVNNBXEAP-UHFFFAOYSA-N

ID: 54194

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 54195

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)OC(=O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.628

InChIKey:
RGWWURJKDDXJRG-UHFFFAOYSA-N

ID: 54196

SMILES:
CCCCCc1ccc2c(c1O)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.141

InChIKey:
XFSLHYHFWBPGED-UHFFFAOYSA-N

ID: 54197

SMILES:
c1(CCCCC)ccc(O)c(CC2C(C)=CCC3C(C)(CCCC(C)C)OC(=O)C23)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -14.88

InChIKey:
FSPYAHFDNFFZDE-UHFFFAOYSA-N

ID: 54198

SMILES:
C(C(C)CCCC(=CCc1c(O)c(C)cc(O)c1)C)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.162

InChIKey:
GVVUQQWWMGBFAL-UHFFFAOYSA-N

ID: 54199

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C=C(CO)COC1(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -13.881

InChIKey:
ZORQSLUYKLGRAU-UHFFFAOYSA-N

ID: 54200

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C(C)C)CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.251

InChIKey:
GIVNWDNDDALTHM-UHFFFAOYSA-N

ID: 54201

SMILES:
C1CC(C)(C=C)Oc2c1cc(CCCC)cc2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -13.196

InChIKey:
JVOVYOGISLCGTM-UHFFFAOYSA-N

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54181–54201 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