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Molecule Identifiers
Molecular Properties

ID: 108214

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C(CC(=O)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.929

InChIKey:
FTNJKLLNYQKCAG-UHFFFAOYSA-N

ID: 108215

SMILES:
c1(C2CCCC(C)(CCCC(C)C)O2)c(O)c(CC=C(C)C)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -14.488

InChIKey:
FTMPPQCRKJDNGO-UHFFFAOYSA-N

ID: 108216

SMILES:
O=C1c2c(O)cc(CCCCC)cc2OC1(C)CCC=C(CCC1OC1(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.075

InChIKey:
LDNGJVXEBRQKMV-UHFFFAOYSA-N

ID: 108217

SMILES:
c1c(C)c(OC)cc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -18.805

InChIKey:
FPNAYBZLIGJJAV-UHFFFAOYSA-N

ID: 108218

SMILES:
CC1(C)Oc2cc(CCC)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 108219

SMILES:
CC1(Oc2c(CC=C(C)C)cc(O)c(CC=C(C)C)c2)CC(C(C)C)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -14.929

InChIKey:
NOADFIQRTUMSRR-UHFFFAOYSA-N

ID: 108220

SMILES:
C(CCc1c2c(c(OC)cc1O)CC1CCC(C)(O1)C21OC(=O)C1)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.929

InChIKey:
IRCXFOUMWDPRFH-UHFFFAOYSA-N

ID: 108221

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.766

InChIKey:
JVXDJMUHRLKDIR-UHFFFAOYSA-N

ID: 108222

SMILES:
C(c1cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.779

InChIKey:
VXMYRUJLTHSFQU-UHFFFAOYSA-N

ID: 108223

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.752

InChIKey:
XOAHTHGPQALFJE-UHFFFAOYSA-N

ID: 108224

SMILES:
c12c(O)cc(CCC)cc1OC1(CCC(Br)C(C)(C)C1)C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 381.354

CB1 binding score: -14.406

InChIKey:
AXTBDMPDVSDHDD-UHFFFAOYSA-N

ID: 108225

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 108226

SMILES:
C(C)(=CCc1c(O)cc(CCCCC)cc1OC1OC(CO)C(O)C(O)C1OC(=O)CC(C)C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 562.744

CB1 binding score: -10.522

InChIKey:
KXQHJUYXDZYMHZ-UHFFFAOYSA-N

ID: 108227

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 108228

SMILES:
CC1(C)Oc2cc(C)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 108229

SMILES:
C(CCCc1ccc2c(c1)C1C(CCC(C)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 108230

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C)(O)CC12)C(C)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.182

InChIKey:
YGNIJGCXZBUVBZ-UHFFFAOYSA-N

ID: 108231

SMILES:
O1C(C)Cc2c(CC=C(C)CCC=C(C)C)c(OC)c(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.288

InChIKey:
LDVVAZZMVOLMFU-UHFFFAOYSA-N

ID: 108232

SMILES:
C1(CCC=C(C)C)=CCC2(C(=O)c3c(ccc(CCCCC)c3)OC2(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.859

InChIKey:
KODNHGKGTHVBSJ-UHFFFAOYSA-N

ID: 108233

SMILES:
C12=C(CCC1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.753

InChIKey:
OAHHZUDLEHBUGH-UHFFFAOYSA-N

ID: 108234

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.794

InChIKey:
FDTSPAPNADBHKT-UHFFFAOYSA-N

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108214–108234 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