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Molecule Identifiers
Molecular Properties

ID: 132910

SMILES:
CC(C(=O)c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C)c1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -13.354

InChIKey:
MIBKETDEGGOFAI-UHFFFAOYSA-N

ID: 132911

SMILES:
c1(OC)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.654

InChIKey:
MWDJYNZOIBISNT-UHFFFAOYSA-N

ID: 132912

SMILES:
c12cc(O)c(C(=O)CCCCC)cc1OC1C(C(=C)C)CCC(C)C1C2C(OC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -14.509

InChIKey:
XBLAOVPZOZHITF-UHFFFAOYSA-N

ID: 132913

SMILES:
CC12CC(c3c(O)cc(CCCCC)cc3O)OC1(C)CCC2OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -16.206

InChIKey:
VUVPADDXCSCJKW-UHFFFAOYSA-N

ID: 132914

SMILES:
CC(O)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 132915

SMILES:
c1c(C)cc(O)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 132916

SMILES:
c12c3c(c(C(OC(C)=O)C(C)CC)cc1O)OC(C)(C)C1C(O3)C2C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -16.727

InChIKey:
UXNOJBQOWAQKMW-UHFFFAOYSA-N

ID: 132917

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.519

InChIKey:
ZQBGNDHWFPGAOL-UHFFFAOYSA-N

ID: 132918

SMILES:
C(CCC)c1cc(OC)c(O)c(C2C=C(C)CCC2C(=C)C)c1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.258

InChIKey:
FEMHWRLSPJCZTG-UHFFFAOYSA-N

ID: 132919

SMILES:
c12c(cc(CCCCC)cc1OC)C1(C)c3c(occ3CC2CC(C)(C)O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.496

InChIKey:
OHPPIGIXRHEWJI-UHFFFAOYSA-N

ID: 132920

SMILES:
C1C(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

ID: 132921

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 132922

SMILES:
C1C2C(C)(OC(=O)C1=Cc1ccc(C(C)(C)C)o1)C1(C)C(C2)Oc2cc(C)cc(O)c2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.548

CB1 binding score: -14.988

InChIKey:
MXJNPNXFWVSUNA-UHFFFAOYSA-N

ID: 132923

SMILES:
C(C)(CC)C(=O)c1c(O)cc(O)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.835

InChIKey:
RYHHLCUJMYHHDT-UHFFFAOYSA-N

ID: 132924

SMILES:
c12cc(CCCCC=O)cc(O)c1C1CC(C)=CC(=O)C1(C)CCC=C(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -16.019

InChIKey:
HALOLPJTNVPTGJ-UHFFFAOYSA-N

ID: 132925

SMILES:
c1c(C#C)c(O)c2c(c1)OC(C)(C)C1C2C(C(C)=O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.355

CB1 binding score: -15.374

InChIKey:
LNXRKXSPLYBAPQ-UHFFFAOYSA-N

ID: 132926

SMILES:
C1(C(=O)O)=CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 132927

SMILES:
C1C(C)C(c2c(O)c(O)cc(CCCC)c2)C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.474

CB1 binding score: -15.12

InChIKey:
FIZFBRBFUYRIKX-UHFFFAOYSA-N

ID: 132928

SMILES:
c12cc(CCCCC)cc(O)c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 132929

SMILES:
C1(=O)C2(c3c(O)cc(CCCCC)cc3O2)CC(=O)C(=C(C)C)CC1C(CCC=C(C)C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -13.311

InChIKey:
ONEVOSSNKWDPBP-UHFFFAOYSA-N

ID: 132930

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.308

InChIKey:
PKHGQMICFWGZJB-UHFFFAOYSA-N

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132910–132930 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