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Molecule Identifiers
Molecular Properties

ID: 110251

SMILES:
O1C(C)(CO)CCCC1C1CCC(C)=CC1c1c(O)cc(C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: Not available

InChIKey:
BDDXAQRINNFPQW-UHFFFAOYSA-N

ID: 110252

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 110253

SMILES:
C1(C)(C)CC2C(C(CC(OC)=O)c3c(cc(CCCCC)cc3O)O2)C(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -16.734

InChIKey:
GJAZOEDXLAYHRZ-UHFFFAOYSA-N

ID: 110254

SMILES:
O1c2c(ccc(C)c2)C2C(CCC(C)=C2)C1(COC(C)=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -13.848

InChIKey:
AONDFUJVKZBYHH-UHFFFAOYSA-N

ID: 110255

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

ID: 110256

SMILES:
O=C1C(C)(C)Oc2cc(CCCCC)ccc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -17.313

InChIKey:
INRGZPCOWZBIFE-UHFFFAOYSA-N

ID: 110257

SMILES:
c12c(O)cc(CCC=CCC)cc1OC(C)(C)C1C(O)CC(C)(O)CC21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.43

InChIKey:
AKTBNCFRHQQBIV-UHFFFAOYSA-N

ID: 110258

SMILES:
C(C(c1c(OC(=O)C2=C(C)OC(C)(C)C3C2C=C(C)C(=O)C3)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)=O)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 564.675

CB1 binding score: -15.306

InChIKey:
LYHATEDMGNHAPK-UHFFFAOYSA-N

ID: 110259

SMILES:
O1c2c(c(O)c(C(OC)=O)c(CCCCC)c2)C=CC1(C)CCC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -16.714

InChIKey:
WPLYVNNPORFVPU-UHFFFAOYSA-N

ID: 110260

SMILES:
CC(C1CCC(C)=CC1c1c(OC)cc(CCCCC)cc1OC(C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -17.675

InChIKey:
JVGAPYPNGRRARQ-UHFFFAOYSA-N

ID: 110261

SMILES:
C1(C)=CC(C)C2c3c(ccc(C)c31)C(C)(C)Oc1c2c(OC)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.486

CB1 binding score: -14.121

InChIKey:
XXLFQXOGPOAWPJ-UHFFFAOYSA-N

ID: 110262

SMILES:
C(CC)(C)=CC(c1c(O)cc(CCCCCC)cc1O)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -13.713

InChIKey:
NCJLYXUSWHUQQE-UHFFFAOYSA-N

ID: 110263

SMILES:
C12C(C(C)(C)Oc3cc(O)c(C)c(O)c31)CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.84

InChIKey:
LEMHOGCTMPDYOF-UHFFFAOYSA-N

ID: 110264

SMILES:
C1(Cc2c(O)cc(CCCCC)cc2O)C(C(C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.666

InChIKey:
LCVMTZHZVTYFTF-UHFFFAOYSA-N

ID: 110265

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2O)C2C(OC)(C)CCCC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.203

InChIKey:
HQKWTXCZGDKQKH-UHFFFAOYSA-N

ID: 110266

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(=C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 110267

SMILES:
C(C(=CC(=O)CC(=CCc1cc(OC)cc(C)c1O)C)C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.236

InChIKey:
ROHIJFATHIMAGU-UHFFFAOYSA-N

ID: 110268

SMILES:
C(CCC=C(C)C)(=CCc1c(O)cc(CCCCC)cc1OC(C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

ID: 110269

SMILES:
C1(=C)CCC(O)C(C)(C)OC(=O)C2C=C(C(CC(C)C)=O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.536

CB1 binding score: -16.018

InChIKey:
LLJFBFIUNMICKC-UHFFFAOYSA-N

ID: 110270

SMILES:
C(C(O)(C)C)(CCC1(C)C=Cc2c(O)cc(C(OC)CCCCC)cc2O1)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.536

CB1 binding score: -13.58

InChIKey:
PBXRXMSJYMHGIU-UHFFFAOYSA-N

ID: 110271

SMILES:
C(CC(N(C)C)=O)(c1c(O)cc(OC)c(C2C=C(C)CCC2C(C)=C)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 387.52

CB1 binding score: -13.069

InChIKey:
BVSVLVICHMMBPA-UHFFFAOYSA-N

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110251–110271 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