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Molecule Identifiers
Molecular Properties

ID: 132574

SMILES:
O=C(c1cc2c(cc1)C1C=C(C)CCC1C(C)(C)O2)NC(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 313.397

CB1 binding score: -15.929

InChIKey:
ZJVZWRVXASGBKG-UHFFFAOYSA-N

ID: 132575

SMILES:
C1CC(OC(=O)C)C(C)(C)Oc2cc(CC)cc(OC)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -16.217

InChIKey:
HYMGLKYECQAAEM-UHFFFAOYSA-N

ID: 132576

SMILES:
C1CC(=C)C(OO)CC(C(C)=C)CCC2(C)Oc3c(CCCCC)c(O)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -13.394

InChIKey:
YFWNXGMVKVENNE-UHFFFAOYSA-N

ID: 132577

SMILES:
c1c(C(C)C)cc(O)c(COc2cc(CC=C)cc(C3C(C(C)=C)CCC(C)=C3)c2OC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.631

CB1 binding score: -14.942

InChIKey:
IQWBYVVUPYFZNH-UHFFFAOYSA-N

ID: 132578

SMILES:
C=C1CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 132579

SMILES:
O1c2cc(CCCCC)cc(O)c2C(C(=C)CCC=C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.775

InChIKey:
QJIYRIBEHRPOJZ-UHFFFAOYSA-N

ID: 132580

SMILES:
CC(C)(O)CCOc1cc2c(cc1-c1c(O)cc(CCCCC)cc1O)C(C(C)=C)CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -14.427

InChIKey:
MNNAPQXVENFEEA-UHFFFAOYSA-N

ID: 132581

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC1(C)CCC(C(C)(O)C)OC1C2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.178

InChIKey:
NZCSNXTXCZLHDK-UHFFFAOYSA-N

ID: 132582

SMILES:
C1(C)=CC(=O)C(C(=C)C)Cc2c1cc(CCCCC)cc2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.134

InChIKey:
VBBGEXWAWDQTSM-UHFFFAOYSA-N

ID: 132583

SMILES:
CC1(C)C2CC=C(C)CC2c2c(cc(O)cc2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.541

InChIKey:
DXDRGIVLXHOGHC-UHFFFAOYSA-N

ID: 132584

SMILES:
C(C1CC=C(C)C(Cc2c(O)cc(CCCCC)cc2O)C1(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.329

InChIKey:
HMNNAPJWTGTBJC-UHFFFAOYSA-N

ID: 132585

SMILES:
c1c(CCCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 132586

SMILES:
C1(C)(O)CCCC(C)(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -17.354

InChIKey:
UNLFZSQAOQBPOQ-UHFFFAOYSA-N

ID: 132587

SMILES:
c1c(O)c2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.145

InChIKey:
YJSPCCRFFZMYHY-UHFFFAOYSA-N

ID: 132588

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 132589

SMILES:
C12CC(=O)C(C)CC1c1c(cc(CCCCC)cc1OC(=O)C(CC)C)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -15.453

InChIKey:
VXOINVSHKQIZAG-UHFFFAOYSA-N

ID: 132590

SMILES:
CC1(C)C2CCC(C(=O)O)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 132591

SMILES:
C12C(O)CC(C)=CC1c1c(cc(CCCCC)cc1O)OC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.046

InChIKey:
QJQRIPWAIAGMPC-UHFFFAOYSA-N

ID: 132592

SMILES:
c1c(CCC)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.551

CB1 binding score: -17.364

InChIKey:
PXUYQYPPLPBOBE-UHFFFAOYSA-N

ID: 132593

SMILES:
C12Cc3c(O)cc4c(c3OC1(C)C)CCC(CCC=C(C)C)=CC2(C(C)C)O4

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -14.463

InChIKey:
JTFYGOFZYUEIMV-UHFFFAOYSA-N

ID: 132594

SMILES:
C1=C(COC(c2c(CCCCC)cc3c(c2O)C=CC(C)(C)O3)C)C(CC=C(C)C)C(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.673

CB1 binding score: -14.521

InChIKey:
BDQOMUYNEVJTTA-UHFFFAOYSA-N

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132574–132594 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