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Molecule Identifiers
Molecular Properties

ID: 119134

SMILES:
C1(CCC=C(C)C)=CCC(C)(C)CC1C(O)c1cc(O)cc(CCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -12.432

InChIKey:
DCGXPZJBLZKPMV-UHFFFAOYSA-N

ID: 119135

SMILES:
C1(C)(C)C2(CCC(C)=CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.228

InChIKey:
XQYSGOVDVJLJAU-UHFFFAOYSA-N

ID: 119136

SMILES:
c1c(OCCC)cc2c(c1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -12.769

InChIKey:
QPSKBHJOPJCJEZ-UHFFFAOYSA-N

ID: 119137

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C=C(C)C(=O)CC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 119138

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 119139

SMILES:
C12(C)CCC(C)C(O)C13Oc1c(ccc(CCCCC)c1)C2C(=C)CC3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.236

InChIKey:
LJGXAKMLOBNQHQ-UHFFFAOYSA-N

ID: 119140

SMILES:
C1(Oc2cc(CCCCC)cc(O)c2C(C)=C)C(C(C)C)CCC2(C)OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -13.706

InChIKey:
LVQLOFCEEXVXAV-UHFFFAOYSA-N

ID: 119141

SMILES:
O=C1C(O)C2(C)C(C(OC(C(C)=CC)=O)C1(C)C)c1c(cc(C)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.433

CB1 binding score: -14.044

InChIKey:
MJYKZKSLJHOOFW-UHFFFAOYSA-N

ID: 119142

SMILES:
C(CC)Cc1cc(OC)c(O)c2c1OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.929

InChIKey:
BLCNFSBFRKLTTF-UHFFFAOYSA-N

ID: 119143

SMILES:
C1CC2(C)C(O2)CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.228

InChIKey:
YXFAAIXJYCWBPA-UHFFFAOYSA-N

ID: 119144

SMILES:
c1(C)c2cc(O)ccc2c2c(c1)-c1c(O)cc(CCCC)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.469

CB1 binding score: -16.429

InChIKey:
QCCPSCZGTPWZAZ-UHFFFAOYSA-N

ID: 119145

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1CC(C)(O)CC(C(=O)OC)C1C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.584

CB1 binding score: -17.297

InChIKey:
JJKRVPUKWMFRLH-UHFFFAOYSA-N

ID: 119146

SMILES:
c1c(O)c(C2C(C(=C)C)CCC(=O)C2)c(OC)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.651

InChIKey:
LNHWMKNYQDRVDJ-UHFFFAOYSA-N

ID: 119147

SMILES:
c1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 119148

SMILES:
c12c(cc(CCCCC)cc1OC)C1c3c(OC)cc(OC)c(CC(C(C)=C)O)c3C(=O)OC1CC(C)CO2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 538.681

CB1 binding score: -13.255

InChIKey:
FJUUVVYVRLBGGM-UHFFFAOYSA-N

ID: 119149

SMILES:
C(O)(=O)c1c(OC(=O)C)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -12.197

InChIKey:
UXCCVMRDBKCEAT-UHFFFAOYSA-N

ID: 119150

SMILES:
C1C=C(C)CC2c3c(OC)cc(C)c(CCC(C)(C)OC)c3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -12.015

InChIKey:
SXIHZSPSPCWPOD-UHFFFAOYSA-N

ID: 119151

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)c(C2=C(C)C(=O)C(Cc3c(O)c(CC=C(CCC=C(C)C)C)c(O)cc3)cc2OC)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 638.845

CB1 binding score: -13.977

InChIKey:
WLKVASIOAJAGES-UHFFFAOYSA-N

ID: 119152

SMILES:
c1c(O)c(C2C=C(C)CCC2C(=C)C)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 119153

SMILES:
CC1(C)C2=C(c3c(O)c(O)cc(CCCCC)c3OC2(C)C)C(=O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.254

InChIKey:
RWBLRZVIGXRUFK-UHFFFAOYSA-N

ID: 119154

SMILES:
C1CCC(C)=C(C(CC2(O)Cc3c(O)cc(C)cc3O2)CCCCC(=O)OC(C)(C)C)C1=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -14.381

InChIKey:
UDABPENZFCTRBQ-UHFFFAOYSA-N

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119134–119154 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