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Molecule Identifiers
Molecular Properties

ID: 116362

SMILES:
C1(C)C(O)CC(C(C)=C)C(c2cc(CCCCC)cc(O)c21)C(O)(C(=O)C)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: Not available

InChIKey:
VHALTMMBOMVWAT-UHFFFAOYSA-N

ID: 116363

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 116364

SMILES:
C12(C(C(C)=C)CCC1C)CCC1(C)Oc3c(c(O)cc(C(C(C)CCCCCC)C)c3O)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.722

CB1 binding score: -15.931

InChIKey:
WFURYCIPNNCEKJ-UHFFFAOYSA-N

ID: 116365

SMILES:
C(CCC=C(C)CCC=C(C)C)(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 116366

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: 116367

SMILES:
CC1(C)C2(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)=CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -13.51

InChIKey:
GCVGWNQLLUEKOX-UHFFFAOYSA-N

ID: 116368

SMILES:
C(Cc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(O)c1)c1cc(O)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -14.416

InChIKey:
JGJAUDMUBVMDDI-UHFFFAOYSA-N

ID: 116369

SMILES:
C(C1CCC(C)=CC1c1c(CCC)c(C=O)c(O)c(O)c1)(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.399

InChIKey:
BQPUHUFGZKRUKR-UHFFFAOYSA-N

ID: 116370

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 116371

SMILES:
C1(C)=CC(c2c(O)cc(C)cc2O)C(C(CCC=C(C)C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.223

InChIKey:
OJONPWSJCVBBKK-UHFFFAOYSA-N

ID: 116372

SMILES:
C(CCC)CCc1cc2c(c(O)c1)C1=C(CCC(C)(C)O1)C(C)(C)C(CC=C(C)C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -15.722

InChIKey:
SGZFZYIGTAHRFM-UHFFFAOYSA-N

ID: 116373

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 116374

SMILES:
OC(C)=NCC1C2C(=CCC1(C)O)C(C)(C)Oc1c2ccc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 329.44

CB1 binding score: -18.75

InChIKey:
IQZONRLUUWLISH-UHFFFAOYSA-N

ID: 116375

SMILES:
C(C)(C)C(CCC(C)=CCc1c(O)cc(CCC)cc1O)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.997

InChIKey:
RDXDUVVAAYMJBF-UHFFFAOYSA-N

ID: 116376

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CCC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

ID: 116377

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.123

InChIKey:
RHLHLVYPGSQERK-UHFFFAOYSA-N

ID: 116378

SMILES:
C(Cc1c(OC)cc2c(c1)OC(CCC=C(C)C)(C)C=C2)(C)CCc1cc(O)cc(C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -15.339

InChIKey:
SWDIDGZXKUTPIK-UHFFFAOYSA-N

ID: 116379

SMILES:
C1(C)(OCC(C)=CCO)CCC2C(C1)c1c(O)cc(C)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.044

InChIKey:
QGBLLRDFLBVAPR-UHFFFAOYSA-N

ID: 116380

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C=C)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.028

InChIKey:
KIFZHNQESZKPAZ-UHFFFAOYSA-N

ID: 116381

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(CCC)=O)c(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.984

InChIKey:
WJEZIEBXUJYTAN-UHFFFAOYSA-N

ID: 116382

SMILES:
C1(C)=CCCC(C)=CCC(c2c(O)cc(CCCCC)cc2O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.565

InChIKey:
WRVLITNESMMPRL-UHFFFAOYSA-N

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116362–116382 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