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Molecule Identifiers
Molecular Properties

ID: 103867

SMILES:
C12=CC(C)CCC1C(C)(C)Oc1cc(CCCO)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.358

InChIKey:
DRRXNAKDMBNANG-UHFFFAOYSA-N

ID: 103868

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 103869

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.247

InChIKey:
IJXLDZIYGDHKBA-UHFFFAOYSA-N

ID: 103870

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.735

InChIKey:
FMARVNBHFUIUNJ-UHFFFAOYSA-N

ID: 103871

SMILES:
C12C(O)C(C)(C)CC1C(O)c1c(cc(CCCCC)cc1O)OC(C)(C)CCCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -18.712

InChIKey:
GTFQREPBZYQMET-UHFFFAOYSA-N

ID: 103872

SMILES:
c1(O)cc(CCCCC)cc2c1OC1(CO)C(C2)C(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.696

InChIKey:
XAUVPXIVXMTDLW-UHFFFAOYSA-N

ID: 103873

SMILES:
Oc1cc(CCCCC)cc(O)c1C1(C)C(C)(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -17.453

InChIKey:
NIVAQGHPRXHFPI-UHFFFAOYSA-N

ID: 103874

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.888

InChIKey:
XRVSXBLYAUVVFC-UHFFFAOYSA-N

ID: 103875

SMILES:
CC(C)C1=CCC2(C)C1c1c(OC)cc(CCCCC)cc1OC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.12

InChIKey:
NLQRIZOPJVQNPI-UHFFFAOYSA-N

ID: 103876

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 103877

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 103878

SMILES:
C(CCCC)Cc1c2c(cc(C)c1)C1=C(C(C)(C)O2)CC(CC=C(C)C)(C)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -15.994

InChIKey:
PRKDPHKKSQTVOR-UHFFFAOYSA-N

ID: 103879

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.198

InChIKey:
NUXUDGMVYZUFNQ-UHFFFAOYSA-N

ID: 103880

SMILES:
c12c(OC)c(O)c(C)cc1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.944

InChIKey:
ODIFEGSTTMASNL-UHFFFAOYSA-N

ID: 103881

SMILES:
c12cc(CCCCC)cc(O)c1C1C(C2(C)C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -16.097

InChIKey:
JNHGAGNYIVEAKA-UHFFFAOYSA-N

ID: 103882

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 103883

SMILES:
CC1(C)Oc2c(c(O)cc(C)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 103884

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 103885

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.963

InChIKey:
DSNZBTMPMQRYNQ-UHFFFAOYSA-N

ID: 103886

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 103887

SMILES:
C1(C)CCC(C(=C)C)C(Cc2ccc3c(c2)OC(=O)C3)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.451

InChIKey:
GRDYDMKQPWAQKD-UHFFFAOYSA-N

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103867–103887 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