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Molecule Identifiers
Molecular Properties

ID: 128143

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.374

InChIKey:
FYEVCSFOWVVFOK-UHFFFAOYSA-N

ID: 128144

SMILES:
C(CCC)CC1C(O)C(C)=C(CO)C(=Cc2ccc3c(c2)OC(C)(C)C(CO)C3)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -12.641

InChIKey:
OPVJABWGDBILCD-UHFFFAOYSA-N

ID: 128145

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(O)cc2CCCC)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.773

InChIKey:
GVVMQETWTXZBJQ-UHFFFAOYSA-N

ID: 128146

SMILES:
OC1(C)CCC(O)C2(C)C1C(c1c(O)cc(CCC)cc1O)CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -14.116

InChIKey:
AILKZRWCSLFARV-UHFFFAOYSA-N

ID: 128147

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.119

InChIKey:
JDHRSSUAGLITCY-UHFFFAOYSA-N

ID: 128148

SMILES:
c1(CC=C(CCC=C(C)CCC=C(C)C)C)c(OC)cc(CCc2ccc(O)cc2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -17.892

InChIKey:
YMOPWTOOBMUWAW-UHFFFAOYSA-N

ID: 128149

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)C2(C1=O)CC(CC=CC(C)(O)C)(C)C1CCC(C(OC)=O)=CC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 606.8

CB1 binding score: -15.997

InChIKey:
BOWQXNWIQZBNAS-UHFFFAOYSA-N

ID: 128150

SMILES:
c1(C(C)=O)ccc(OC)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -15.742

InChIKey:
LUUMGDQAJRKHFJ-UHFFFAOYSA-N

ID: 128151

SMILES:
C1(C)(CCC=C(C)CC(O)C2OC2(C)C)Oc2c(cc(C(O)=O)c(C)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.886

InChIKey:
FMVXHANQNKSEHM-UHFFFAOYSA-N

ID: 128152

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -12.283

InChIKey:
VKRLCFIRUDDHKY-UHFFFAOYSA-N

ID: 128153

SMILES:
C1=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 128154

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -17.426

InChIKey:
VEMSIANQFMHFRO-UHFFFAOYSA-N

ID: 128155

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128156

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 128157

SMILES:
CC1(C)Oc2cc(C)c(CCCCC)cc2C1Cl

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 266.812

CB1 binding score: -12.614

InChIKey:
LPTPXCCUNNRJLK-UHFFFAOYSA-N

ID: 128158

SMILES:
c1(OC)cc(O)cc(C)c1C1Cc2c(cc(CCCCC)cc2OC)OC(C)(C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -15.414

InChIKey:
KKDJRKVYRKYFEU-UHFFFAOYSA-N

ID: 128159

SMILES:
CCCCCc1c2cc(O)c(C3C=C(C)CCC3C(C)=C)c(O)c2cc(C=O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.539

CB1 binding score: -14.988

InChIKey:
MOBQTNNTBNKHBW-UHFFFAOYSA-N

ID: 128160

SMILES:
C(CCCc1cc2c(c(O)c1)C1CC(C(C)=C)CCC1(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.982

InChIKey:
MJVCVXFYLLZZEJ-UHFFFAOYSA-N

ID: 128161

SMILES:
C12(CCC(=O)C1C)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.395

InChIKey:
CBSUCJLZDAUGRA-UHFFFAOYSA-N

ID: 128162

SMILES:
c12c(c(O)cc(C(C)C(=C)CCC=C(C)C)c1)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.929

InChIKey:
OZLKKKPOEMVMQG-UHFFFAOYSA-N

ID: 128163

SMILES:
C1(C)(C)CCCC(C)(C(c2cc(OC)c(C)cc2O)(C)OC(=O)C(C)CC)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.536

CB1 binding score: -16.004

InChIKey:
HACQWKZRLAPFQQ-UHFFFAOYSA-N

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128143–128163 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