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Molecule Identifiers
Molecular Properties

ID: 121486

SMILES:
c1(OC)c(C2C=C(CO)CC(O)C2C(C)=C)ccc(CCC(CC)OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -14.471

InChIKey:
USFPBDJVOCAHIJ-UHFFFAOYSA-N

ID: 121487

SMILES:
c1cc(CCCC(c2cc(C3C=C(C)CCC3C(C)=C)c(OC)cc2)C)co1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -17.011

InChIKey:
YLXNVBDUNLJCFW-UHFFFAOYSA-N

ID: 121488

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.36

InChIKey:
REFMNIJDMMHSLG-UHFFFAOYSA-N

ID: 121489

SMILES:
C(CNC(=O)CC(c1c(O)c2c(cc1OC)OC(C)(C)C1C2C=C(C)CC1)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 401.547

CB1 binding score: -14.657

InChIKey:
FMZGQKCDSRHVNE-UHFFFAOYSA-N

ID: 121490

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc12)c1occc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.496

CB1 binding score: -13.8

InChIKey:
KEOMKZLUOQNKDA-UHFFFAOYSA-N

ID: 121491

SMILES:
Clc1c(OC)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -17.466

InChIKey:
LQFFRZNLPUTVAO-UHFFFAOYSA-N

ID: 121492

SMILES:
C1(C)=C(C2C=C(C)CCC2C(C)=C)C(=O)C(C(=O)CC(C)C)=C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.502

InChIKey:
VCRPCDXGGALEKR-UHFFFAOYSA-N

ID: 121493

SMILES:
CC1(C)Oc2cc(c(O)cc2CCCCC)C1C#C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -15.221

InChIKey:
OYYWCWOEKSVEGO-UHFFFAOYSA-N

ID: 121494

SMILES:
c12c(O)cc(OC)cc1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.987

InChIKey:
WEJIEIZJRLUNOB-UHFFFAOYSA-N

ID: 121495

SMILES:
CC1C2(O)C(C(OC)=O)(c3c(O)cc(CCCCC)cc3O2)CC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -14.771

InChIKey:
XVRRKXZZXODKJI-UHFFFAOYSA-N

ID: 121496

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2(C)C(C=C(C(=O)O)CC2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -15.663

InChIKey:
UWUCEJYHGSIQEH-UHFFFAOYSA-N

ID: 121497

SMILES:
C1C(=O)C(=C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.165

InChIKey:
DXRLUMOANWAHBS-UHFFFAOYSA-N

ID: 121498

SMILES:
C1(C)(C)C2=C(c3ccccc3O1)CC1(O)C(C)CC(C3C1=C(C(C)CC(O)C1OC1(C)C)CC3)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.645

CB1 binding score: Not available

InChIKey:
JKZXXLDDIXBFHK-UHFFFAOYSA-N

ID: 121499

SMILES:
c1(C2C=C(C)CCC2C(C)=C)c(O)cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 121500

SMILES:
C1C=C(C=O)C2c3c(cc(CCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.369

InChIKey:
ZUPQCUGHURFYHX-UHFFFAOYSA-N

ID: 121501

SMILES:
C1C(C(C)C)C2C3C(C)(Oc4cc(O)c(CCCCCC)cc4C3C=C(C)CC2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 410.642

CB1 binding score: Not available

InChIKey:
UQXLYKRVFUSHOW-UHFFFAOYSA-N

ID: 121502

SMILES:
CCCCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 121503

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)CCC=C(C)C(=O)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -15.477

InChIKey:
NXBSLWLCTGZMNS-UHFFFAOYSA-N

ID: 121504

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 121505

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.582

InChIKey:
PDYKIGRVNVKGPA-UHFFFAOYSA-N

ID: 121506

SMILES:
Oc1c(C)c(C2C(C(=C)C)CCC(C)=C2)c(OC)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.354

InChIKey:
ZSBQRRZDGFDXBZ-UHFFFAOYSA-N

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121486–121506 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