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Molecule Identifiers
Molecular Properties

ID: 111973

SMILES:
C1(C)(C)C=CC(=O)C2(C)Oc3cc(C)cc(O)c3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.317

CB1 binding score: -14.047

InChIKey:
IQNLOVRSDDANSX-UHFFFAOYSA-N

ID: 111974

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.989

InChIKey:
ZTZGBEZKXBIYDU-UHFFFAOYSA-N

ID: 111975

SMILES:
C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)CC1(C)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -15.988

InChIKey:
HZJHVMDWAMNLIE-UHFFFAOYSA-N

ID: 111976

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 111977

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.466

InChIKey:
MFZWZOYYAODELU-UHFFFAOYSA-N

ID: 111978

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 111979

SMILES:
C(CCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)=C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.728

InChIKey:
RECLSNODOVFMMU-UHFFFAOYSA-N

ID: 111980

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -7.009

InChIKey:
MQFMBLLHVXZVNW-UHFFFAOYSA-N

ID: 111981

SMILES:
C1(C)(C)Oc2cc(CCCC)cc(O)c2C(=O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.738

InChIKey:
IMLRQDGQADZKBC-UHFFFAOYSA-N

ID: 111982

SMILES:
C1C2C(C)(C)C2C2C3OC(C1(C)Oc1cc(CCCCC)cc(O)c1-3)C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.502

InChIKey:
BQYFVKILCLWRTH-UHFFFAOYSA-N

ID: 111983

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 500.764

CB1 binding score: -14.848

InChIKey:
SCBUVACKQTULQQ-UHFFFAOYSA-N

ID: 111984

SMILES:
C12=CC(C)=CC(O)C1C(C)(C)Oc1c2cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.819

InChIKey:
JNEJXJMYLDKDSL-UHFFFAOYSA-N

ID: 111985

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -15.977

InChIKey:
MHXCFAPDAGLNKW-UHFFFAOYSA-N

ID: 111986

SMILES:
C(CC1=CC(CC(C)=CCc2cc(OC)cc(C)c2O)C(C(=C)C)CC1O)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -14.531

InChIKey:
PHLDUXRFWULFHI-UHFFFAOYSA-N

ID: 111987

SMILES:
c1(O)cc2c(cc1C)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.07

InChIKey:
JAQQPODSAWTCBC-UHFFFAOYSA-N

ID: 111988

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 111989

SMILES:
C=C(C)C1C(c2cc(CCCCC)cc(O)c2)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.993

InChIKey:
UJDULBLXJFNKOT-UHFFFAOYSA-N

ID: 111990

SMILES:
O1c2c(c3c(c(C)c2)C2C=C(C)CCC2C(C)(C)O3)C=C2C1CCCC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -12.689

InChIKey:
WQVRUCHBUNCKTB-UHFFFAOYSA-N

ID: 111991

SMILES:
c1(OC)c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -18.629

InChIKey:
YEDIZIGYIMTZKP-UHFFFAOYSA-N

ID: 111992

SMILES:
C(C=C(C)CCC1OC1(C)C)CC1(C)C=Cc2c(c(C)cc(O)c2OC)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.597

InChIKey:
GJZQGNKUFNNXDA-UHFFFAOYSA-N

ID: 111993

SMILES:
C12C(C(C)(C)Oc3cc(C)ccc31)CC([N+](C)(C)C)C2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.455

CB1 binding score: -14.164

InChIKey:
ONXPMODNISLASG-UHFFFAOYSA-N

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111973–111993 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