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Molecule Identifiers
Molecular Properties

ID: 140344

SMILES:
C1=C(C)C(O)C(c2c(OC)cc(CCCCC)cc2OC)C1C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.866

InChIKey:
RZOUZEPJCWPOEO-UHFFFAOYSA-N

ID: 140345

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -12.358

InChIKey:
GJHACCXLAQAVHK-UHFFFAOYSA-N

ID: 140346

SMILES:
O1c2cc(CCCCC)ccc2C2C(CCC(C)=C2)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -17.027

InChIKey:
QVHCRRUEBSJQDW-UHFFFAOYSA-N

ID: 140347

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.649

InChIKey:
CBFJCKSFJPWQQA-UHFFFAOYSA-N

ID: 140348

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -15.178

InChIKey:
WPOBAFZFSMXJFI-UHFFFAOYSA-N

ID: 140349

SMILES:
C(OC1C2C(O)(CC(COC(C)=O)C2CC=C(C)C)C2C1(C)Oc1cc(CCCCC)cc(OC)c12)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.73

CB1 binding score: -15.112

InChIKey:
RELDHWFVZNKRET-UHFFFAOYSA-N

ID: 140350

SMILES:
O1c2cc(CCCCC)cc3c2C2C(C(C)(C)Oc4cc(CCCCC)cc(O)c41)CCC(C)C23

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.701

CB1 binding score: -18.306

InChIKey:
UKWZWOJIHYQJDD-UHFFFAOYSA-N

ID: 140351

SMILES:
C(=CCc1c(O)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1)Cl

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.844

CB1 binding score: -14.556

InChIKey:
KALMKXZLRXEXFH-UHFFFAOYSA-N

ID: 140352

SMILES:
Oc1cc(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: 140353

SMILES:
CC1(C)C2(CC=C(C)CC2)c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.608

InChIKey:
QATZCQMZABAYOF-UHFFFAOYSA-N

ID: 140354

SMILES:
c1c(CCN)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 287.403

CB1 binding score: -14.801

InChIKey:
QGCPMRISDDXIHG-UHFFFAOYSA-N

ID: 140355

SMILES:
CC12Oc3c(c(O)cc(CCCCC)c3)C1CC(O)(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.554

InChIKey:
DZPVLJXZQVEXMZ-UHFFFAOYSA-N

ID: 140356

SMILES:
C(CC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1C(O)=Cc1ccccc1[N+](O)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.555

CB1 binding score: -15.368

InChIKey:
IRWUUSDUGJDYLH-UHFFFAOYSA-O

ID: 140357

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 140358

SMILES:
C(C)(Oc1cc(CCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.883

InChIKey:
LYNQMKDHYAOJHU-UHFFFAOYSA-N

ID: 140359

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 140360

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1c2cc(O)c(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 140361

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C2C(C(C)(C)O)CCC2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.943

InChIKey:
WYMGIOMCMWAZSV-UHFFFAOYSA-N

ID: 140362

SMILES:
COc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 140363

SMILES:
O(c1c(CCCCC)cc2c(c1O)CC1C(C)(O2)C(O)CCC1(C)C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.834

InChIKey:
BEHSRZLFBZXHRN-UHFFFAOYSA-N

ID: 140364

SMILES:
C12C(C)(CCC=C(C)C)C(c3c(O)cc(C(C)(CCCC)C)cc3O1)CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -15.514

InChIKey:
KVANEKSQZYHXSU-UHFFFAOYSA-N

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140344–140364 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