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Molecule Identifiers
Molecular Properties

ID: 81838

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -15.35

InChIKey:
YBJNXKDIWAPQCT-UHFFFAOYSA-N

ID: 81839

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.55

InChIKey:
YCGWNTZYTNQABT-UHFFFAOYSA-N

ID: 81840

SMILES:
C(C)CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 81841

SMILES:
c1(O)cc(CCCC)cc2c1OC(C)(C)C1CC=C(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.346

InChIKey:
ZAQQWBAGWYVVIJ-UHFFFAOYSA-N

ID: 81842

SMILES:
CC1(C)Oc2c(c(O)cc(CCC)c2)C2C1(O)C(C(O)(C)C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.295

InChIKey:
NVLIRBLZRQHJAV-UHFFFAOYSA-N

ID: 81843

SMILES:
C12(COC(C)=O)OC1c1c(cc(CCCC)cc1O)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.385

CB1 binding score: -14.649

InChIKey:
XKHNHBJJRXQPBP-UHFFFAOYSA-N

ID: 81844

SMILES:
C1C2C(c3c(cc(O)cc3C)OC2(C)C)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.409

InChIKey:
BJMZVRMKKMPCLN-UHFFFAOYSA-N

ID: 81845

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 81846

SMILES:
COc1cc(CCc2cc(O)c3c(c2)OC(C)(CCC=C(C)C)C=C3)cc(O)c1C1CC(C)(O)C2(C)C(=O)C3=C(OC2(C)C)C1(C)CC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 656.86

CB1 binding score: -14.605

InChIKey:
ZANRWNVJXWQFHL-UHFFFAOYSA-N

ID: 81847

SMILES:
C(CCCC)c1cc(O)c2c(c1C=O)OC(CCC=C(C)C)(CO)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.015

InChIKey:
NOLJSALHBYNWOE-UHFFFAOYSA-N

ID: 81848

SMILES:
O(C)c1c2cc(cc1)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.397

InChIKey:
QHVUGAAPZXPWNG-UHFFFAOYSA-N

ID: 81849

SMILES:
Oc1c(C(=O)C(CC)C)c2c3c(c1O)OC(C)(C)C1CCC(C)(C1C2)O3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -14.607

InChIKey:
GCEDTRKWYAAAFC-UHFFFAOYSA-N

ID: 81850

SMILES:
c12c(cc(CCCC)cc1O)OC(C)(C)C1CC=C(C)C(=O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.687

InChIKey:
GXVDYEDWOQVSAM-UHFFFAOYSA-N

ID: 81851

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 81852

SMILES:
c12c(c(CCCCC)cc(OC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.954

InChIKey:
MRZCUYAPLPCXMS-UHFFFAOYSA-N

ID: 81853

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 81854

SMILES:
C1=C(C)CCC(C(=C)C)C1c1ccc(CCCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.471

CB1 binding score: -19.804

InChIKey:
VGBLUPCGCQUYRW-UHFFFAOYSA-N

ID: 81855

SMILES:
C1(C)C2CC=C(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.495

InChIKey:
DYGODEDBSNAVON-UHFFFAOYSA-N

ID: 81856

SMILES:
C1(C)C2CCC3C(C)(C)Oc4c(c(O)cc(CCC)c4)C23OC1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -13.983

InChIKey:
ZCAYKNZCWDWGKT-UHFFFAOYSA-N

ID: 81857

SMILES:
CC1(CCC=C(C)C)Oc2cc(CCCCC)c(O)cc2C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -13.073

InChIKey:
HHNQGDKXZLEKAV-UHFFFAOYSA-N

ID: 81858

SMILES:
Oc1cc(CC)c(O)cc1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.652

InChIKey:
GFZBDSMMEKEACG-UHFFFAOYSA-N

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81838–81858 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