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Molecule Identifiers
Molecular Properties

ID: 78226

SMILES:
C(c1cc(O)c2c(c1CO)OC(CCC1(C)CCC(=O)O1)(C)C2)(C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -16.91

InChIKey:
QJOJYZIGHZXATE-UHFFFAOYSA-N

ID: 78227

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2C(O)(C(C)CCC2C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -17.023

InChIKey:
FZFHZGURBWUUEW-UHFFFAOYSA-N

ID: 78228

SMILES:
O(C=C(C)C)c1cccc(C2C=C(C)CCC2C(=C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.427

CB1 binding score: -16.693

InChIKey:
CZSXXPLZFSQWMZ-UHFFFAOYSA-N

ID: 78229

SMILES:
C1CC2C(C)(C)Oc3c(cc(O)cc3)C2C1(C)C(O)C=CC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -18.576

InChIKey:
CXVNCQHKZHESLW-UHFFFAOYSA-N

ID: 78230

SMILES:
C(=C)(C1CCC(C)C2C1c1c(O)cc(CCC)cc1O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.848

InChIKey:
SQCWJTQRRQVSTB-UHFFFAOYSA-N

ID: 78231

SMILES:
CC12C(C(O)CC(C)=CC1)c1c(cc(CCCCC)c(C(=O)O)c1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -16.298

InChIKey:
QUXVTFZZYBZECB-UHFFFAOYSA-N

ID: 78232

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 78233

SMILES:
c1c(O)ccc2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.912

InChIKey:
JKUWZILTAIFPQY-UHFFFAOYSA-N

ID: 78234

SMILES:
C(CCCCO)Cc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)(O)C(O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.508

CB1 binding score: -15.158

InChIKey:
XKMSTBVYGIUWKF-UHFFFAOYSA-N

ID: 78235

SMILES:
C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 78236

SMILES:
O=C1C(CC(=O)C(CCC=C(CCC=C(C)C)C2CC=C(C)C(=O)O2)C)(C)Oc2c(c(O)cc(CCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.709

CB1 binding score: -16.335

InChIKey:
PWFMZJDQFSNKHS-UHFFFAOYSA-N

ID: 78237

SMILES:
CC1(C)C2C(C=C(C)CC2)c2c(cccc2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.438

InChIKey:
CBEWCUWSPDDHMI-UHFFFAOYSA-N

ID: 78238

SMILES:
CC(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.852

InChIKey:
SFUFRHMPPGZMCA-UHFFFAOYSA-N

ID: 78239

SMILES:
C12(C)OC3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CC1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -12.702

InChIKey:
FNGXSUGFLDFCKV-UHFFFAOYSA-N

ID: 78240

SMILES:
O1C23C1(C(C)(C)Oc1cc(CCCCC)cc(O)c12)CC=C(C)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.13

InChIKey:
GNTZGCQZENLWFI-UHFFFAOYSA-N

ID: 78241

SMILES:
C1C(C)=CCCC(C)c2c(OC(C)=O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.384

InChIKey:
KKYDJYMZGUGDSQ-UHFFFAOYSA-N

ID: 78242

SMILES:
OC(CC(C)=CCOc1cc2c(c(C(OC)=O)c1C)OC(C)(C)C1CCC(C)=CC21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.525

CB1 binding score: Not available

InChIKey:
CPRBZZHHIQHKHO-UHFFFAOYSA-N

ID: 78243

SMILES:
CC(C)C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1c1cc(O)cc(CCc2ccccc2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.734

CB1 binding score: -12.479

InChIKey:
AOAXJQHOPNQLKI-UHFFFAOYSA-N

ID: 78244

SMILES:
c1(CCCCC)c(O)cc2c(c1)C1CC(C)(O2)CCC1C(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.943

InChIKey:
HRCUQKBLJHQZNA-UHFFFAOYSA-N

ID: 78245

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 78246

SMILES:
C(c1cc(O)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.184

InChIKey:
ZLZCSBDEOWSUBY-UHFFFAOYSA-N

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78226–78246 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