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Molecule Identifiers
Molecular Properties

ID: 38221

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -17.509

InChIKey:
IVVMRLBJADNCTJ-UHFFFAOYSA-N

ID: 38222

SMILES:
C12C=CC(=C)C3=CCC(C)(Oc4cc(CCC)cc(O)c43)C1(C)CCC2C(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -17.19

InChIKey:
XGZPEVZYNFJYOL-UHFFFAOYSA-N

ID: 38223

SMILES:
C1(C)(C2C(O)CC(C)C3C(c4c(cc(CCCCC)cc4O)O3)O2)CCC(=O)C(C)(C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.584

CB1 binding score: -17.86

InChIKey:
UOVSYXADZMIWOE-UHFFFAOYSA-N

ID: 38224

SMILES:
C(CCc1cc2c(c(OC)c1)C(=O)OC(C)(C)C1CCC(C)=CC21)CCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -15.611

InChIKey:
VZVDTVNUYKYJCD-UHFFFAOYSA-N

ID: 38225

SMILES:
C(c1ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1)(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.535

CB1 binding score: -14.394

InChIKey:
ANJRVFFQYYVKKQ-UHFFFAOYSA-N

ID: 38226

SMILES:
C(C)(c1cc2c3c(c1)OC(C)(C)c1c-3ccc(c1)CCC(C(O)(CO)C)O2)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -14.112

InChIKey:
LXJNSUQXUZINOQ-UHFFFAOYSA-N

ID: 38227

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 38228

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.881

InChIKey:
XJGZQRUFAFFUAF-UHFFFAOYSA-N

ID: 38229

SMILES:
C(=C)(C)C1CCC(C)=CC1c1c(O)cc(C(C)C(=O)CC=C(C)C)c(C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.4

InChIKey:
DJUWGTPRKPMXPX-UHFFFAOYSA-N

ID: 38230

SMILES:
C1(OC(=O)CC)CC2C(C)(CC=C(C=C)C)c3c(OC)cc(CCC)cc3OC2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -15.263

InChIKey:
ZBRYQDOBCKFPQM-UHFFFAOYSA-N

ID: 38231

SMILES:
c12cc(CCCCC)cc(O)c1C(=O)c1c(cc3c(c1)OC(C(C)(C)O)C2)C(CCC=C(C)C)(C)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.656

CB1 binding score: -13.749

InChIKey:
LKNTYSDQPWQKKV-UHFFFAOYSA-N

ID: 38232

SMILES:
C(CCCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 38233

SMILES:
C(CCCc1cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.458

InChIKey:
LZFSGTNLAZDDKK-UHFFFAOYSA-N

ID: 38234

SMILES:
CC(C)C1C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 38235

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 38236

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(=C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.082

InChIKey:
ANTQYSKISJLWBD-UHFFFAOYSA-N

ID: 38237

SMILES:
CCCCCc1cc2c(c(O)c1C(OC)=O)C=CC(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.307

InChIKey:
CVKXPIFTHMEWGP-UHFFFAOYSA-N

ID: 38238

SMILES:
C(=CC1c2c(c(O)cc(CCCCC)c2)C(=O)C(C)=C1O)C=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -18.691

InChIKey:
PBZRGRYFPSVBFD-UHFFFAOYSA-N

ID: 38239

SMILES:
C1(C)=CC(c2c(O)cc(CCCCCO)cc2O)C2C(C)(C1)CCC(O)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -15.599

InChIKey:
FHXFGCGNAZFOCK-UHFFFAOYSA-N

ID: 38240

SMILES:
Oc1c(CC(OC)C)cc2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -13.782

InChIKey:
CITODFWGGUCIFE-UHFFFAOYSA-N

ID: 38241

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1=C2CC(C)C2CC(O)C(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -17.33

InChIKey:
IPRVIHHAURRKKV-UHFFFAOYSA-N

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38221–38241 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