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Molecule Identifiers
Molecular Properties

ID: 63946

SMILES:
C(C)CCCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.045

InChIKey:
YOIFJGAYWGHFPW-UHFFFAOYSA-N

ID: 63947

SMILES:
c1c(C)c2c(o1)CC(C)C1C3C(c4c(OC)cc(CCCC)cc4OC2(C)C3)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -14.337

InChIKey:
WXSYVZZCVNWPNZ-UHFFFAOYSA-N

ID: 63948

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -17.527

InChIKey:
BWZPTBQPHUXSRA-UHFFFAOYSA-N

ID: 63949

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 63950

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(O)C(C)(CC2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -14.933

InChIKey:
VGZGHGILMBQGNX-UHFFFAOYSA-N

ID: 63951

SMILES:
O(C(C)=O)CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.773

InChIKey:
ILHSUWMZKIAMCQ-UHFFFAOYSA-N

ID: 63952

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.827

InChIKey:
KZDBMWSJBMYKAQ-UHFFFAOYSA-N

ID: 63953

SMILES:
C(=O)(C)C1C(OC(=O)C(C)=CC)CC2(c3c(cc(CCCCC)cc3OC(C)=O)OC2)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.552

CB1 binding score: -16.917

InChIKey:
VPUSVKVYSJKSOO-UHFFFAOYSA-N

ID: 63954

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 63955

SMILES:
O=C(C(C)C)c1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.663

InChIKey:
JGZCZFIYABIKCL-UHFFFAOYSA-N

ID: 63956

SMILES:
C1CC(C(O)(C)C)Oc2c(c(O)cc(CCCCCC)c2)C2OC(=O)C1=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.356

InChIKey:
VKRYILZNXVRFIQ-UHFFFAOYSA-N

ID: 63957

SMILES:
C1(OCC)C2C(=C)CCC(C(C)(C)Oc3ccc(CCCCC)cc3O2)CC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -16.015

InChIKey:
NRGBEWAVMJMUQI-UHFFFAOYSA-N

ID: 63958

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 63959

SMILES:
OC(c1c(O)c2c(cc1C(C)C)OC(C)(C)C1CCC(CO)=CC12)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.384

InChIKey:
LWZCGRITNDEPST-UHFFFAOYSA-N

ID: 63960

SMILES:
C(C)(C(OCc1c(C(=O)OC)c(CCCCC)cc2c1C1C(CCC(C)=C1)C2(C)C)=O)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -15.007

InChIKey:
SACVALKHZMJEPH-UHFFFAOYSA-N

ID: 63961

SMILES:
CC(OCC1(CO)C2C(C)(CCC1)Oc1c(c(O)cc(CCC)c1)C2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -16.905

InChIKey:
UWESJCCDYWQVML-UHFFFAOYSA-N

ID: 63962

SMILES:
O=C(c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC12)N

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 287.359

CB1 binding score: -17.152

InChIKey:
KVFMNJONCCXFOD-UHFFFAOYSA-N

ID: 63963

SMILES:
c1c2c3c(c(O)c1C(OC)(C)C)OC(C)(C)C1CCC(C)(CC13)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.844

InChIKey:
XBFPVQGWNVSRHI-UHFFFAOYSA-N

ID: 63964

SMILES:
O(C1C(C)(O)CCC2C(C(C)C)C1c1c(cc(CCCCCO)cc1O)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.536

CB1 binding score: -11.804

InChIKey:
KOZGTEVVINIYER-UHFFFAOYSA-N

ID: 63965

SMILES:
C1C(C(c2c(O)cc(CC)cc2)C)(C)OC(C)(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -14.632

InChIKey:
HHBBZHDGQARMLT-UHFFFAOYSA-N

ID: 63966

SMILES:
CCCCCCc1c(O)c2c(c(O)c1C(O)=O)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.427

InChIKey:
OHTSZFDMHKTMTO-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties