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Molecule Identifiers
Molecular Properties

ID: 135346

SMILES:
C(C1(C)C2c3c(O)cc(CCCCC)cc3OC(C)(CCC1O)C2)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -12.819

InChIKey:
HVFMLGXQVSPIHP-UHFFFAOYSA-N

ID: 135347

SMILES:
c1(CCCC)c(OC)c(CC=C(C)C)c(O)c2c1OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.158

InChIKey:
GLHHQKQJYPZFEA-UHFFFAOYSA-N

ID: 135348

SMILES:
C1(C(C)(c2ccccc2)C)CCC(C)CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -15.4

InChIKey:
GJLJPGHCIIYMCR-UHFFFAOYSA-N

ID: 135349

SMILES:
C1(C)=CCC(c2c(O)cc(CCC)cc2OC)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -16.092

InChIKey:
JBKDJSPRQOWGKT-UHFFFAOYSA-N

ID: 135350

SMILES:
c12c(OC)cc(cc1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -13.521

InChIKey:
YRAOBMCOPVXAKY-UHFFFAOYSA-N

ID: 135351

SMILES:
C1(C)(O)CCC2C(C)(C)Oc3cc(CCCCC)cc(C(C)=O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.038

InChIKey:
SVKKEZHIPMJBCB-UHFFFAOYSA-N

ID: 135352

SMILES:
C1C(C)=CCC2C(C(OC)=O)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.569

InChIKey:
RKOOHOVYYULMNW-UHFFFAOYSA-N

ID: 135353

SMILES:
C1C(O)(C)C2=C(C1)c1c(cc(CCCCC)cc1O)OC(C)(C)C2C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.269

InChIKey:
LGRXSJCNNRTUCC-UHFFFAOYSA-N

ID: 135354

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135355

SMILES:
c1(OC)cc(CCc2cc(O)cc(OC)c2)cc2c1CC1CC(C(C(C)C=CC=C(C)C(=O)O)OC1=O)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 564.675

CB1 binding score: -16.015

InChIKey:
IPWKEVAUYCEKIM-UHFFFAOYSA-N

ID: 135356

SMILES:
C1C2C(CCC2C)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.026

InChIKey:
UWJTXRBBWOXUPZ-UHFFFAOYSA-N

ID: 135357

SMILES:
C(CCC)Cc1cc(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: 135358

SMILES:
c1(C=CC2OC(=O)C=C2)ccc2c(c1O)C1C=C(COC(C)=O)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.466

CB1 binding score: -12.402

InChIKey:
WNNUQUYEJABVRU-UHFFFAOYSA-N

ID: 135359

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(O)(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

ID: 135360

SMILES:
c1(O)cc(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: 135361

SMILES:
C(C)(C)=CCCC1(C)Oc2cc(CCC(=O)O)cc(O)c2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.16

InChIKey:
CVKOASOLDJIIPJ-UHFFFAOYSA-N

ID: 135362

SMILES:
c1c(O)c2c(cc1)OC(C)(CCCC(CC1C(C(O)(C)C)O1)C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.092

InChIKey:
FRICUHNLRQXXTJ-UHFFFAOYSA-N

ID: 135363

SMILES:
C(=C(C)C)CCC(c1c(CC=C(C2CC=C(C)C(=O)C2)C)c(O)c(C(=O)c2c(O)cc(CCCCC)cc2O)o1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 562.747

CB1 binding score: -13.749

InChIKey:
RFTDIQZBPMVJIV-UHFFFAOYSA-N

ID: 135364

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 135365

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 135366

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)c(CCCc2ccccc2)c2c(cc1)OC(C)(C)C1C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.644

CB1 binding score: -15.582

InChIKey:
KPZFGOHIROHCHM-UHFFFAOYSA-N

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135346–135366 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