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Molecule Identifiers
Molecular Properties

ID: 92989

SMILES:
CC1(C)C2CCC(C)=CC1c1cc(ccc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -12.616

InChIKey:
CQVAXTHLZMUOFX-UHFFFAOYSA-N

ID: 92990

SMILES:
C(C)CCCCc1cc2c(c(O)c1C(=O)OC)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -16.425

InChIKey:
HMQBKLPNYNLPFE-UHFFFAOYSA-N

ID: 92991

SMILES:
C1(=O)C(CC2OC(C)(C)OC2)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CCC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.666

CB1 binding score: -13.53

InChIKey:
CCKYQSFJAFTEOW-UHFFFAOYSA-N

ID: 92992

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 92993

SMILES:
O1C(c2c(O)cc(CCCCC)cc2O)(CCC(C(O)(C)C)O)CCC1(C)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.563

CB1 binding score: -14.902

InChIKey:
AIMGNXFLRFDXNH-UHFFFAOYSA-N

ID: 92994

SMILES:
CCCCCc1c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 92995

SMILES:
CC1C2C(=CC1)C(C(=O)OC)(O)C(c1c(O)ccc(OC)c1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.422

CB1 binding score: -16.57

InChIKey:
NQKWMEAKTSYXEB-UHFFFAOYSA-N

ID: 92996

SMILES:
CC1(C)C2CC=C(C(=O)OC)CC2c2c(cc(C(C)C)cc2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.551

InChIKey:
CKHGBZHPVQOQHX-UHFFFAOYSA-N

ID: 92997

SMILES:
C(CC)Cc1ccc(O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.673

InChIKey:
LIYYADRETHJGJT-UHFFFAOYSA-N

ID: 92998

SMILES:
OC1C(C)=CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 92999

SMILES:
CCC(COC)CCCCc1cc2c(c(O)c1)C1C(CC(C)C1)OC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -13.263

InChIKey:
LLOJRJQQYNYBRI-UHFFFAOYSA-N

ID: 93000

SMILES:
C1CC(C(c2ccco2)C)=CC2C1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -13.407

InChIKey:
XBHIWSQESAVDMA-UHFFFAOYSA-N

ID: 93001

SMILES:
C(=Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -17.329

InChIKey:
UXMYALNHHLVVAU-UHFFFAOYSA-N

ID: 93002

SMILES:
CC(C)=CCCC(c1c(O)cc(CCC)cc1O)(OC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -12.554

InChIKey:
NZQBSMAECDJDGZ-UHFFFAOYSA-N

ID: 93003

SMILES:
C1(C)=CC2c3c(cc(CCCCC)c(C=O)c3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.286

InChIKey:
NQFUEDHWQJVOKZ-UHFFFAOYSA-N

ID: 93004

SMILES:
CC(=CCCC(=CCc1c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c(CCCC)c1)C)CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.695

CB1 binding score: -15.068

InChIKey:
QZHQLTLBXQYKLB-UHFFFAOYSA-N

ID: 93005

SMILES:
C=C(C1Cc2c(C(C)(C)CCCC(C)=C)cc(O)cc2OC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.335

InChIKey:
HIXOQKNCUGYWFF-UHFFFAOYSA-N

ID: 93006

SMILES:
C(C)CCCc1cc2c(cc1)C(=O)C1(O2)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -15.851

InChIKey:
QUPRFIAAQCPJCE-UHFFFAOYSA-N

ID: 93007

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C3C(C)(C2(C)C1)CCC1C(C)(C)C13

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.573

CB1 binding score: -16.416

InChIKey:
IRWYUCSWKPPCAP-UHFFFAOYSA-N

ID: 93008

SMILES:
c1c(CCCC)cc2c(c1O)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.879

InChIKey:
IXZUQKJFDLWXNQ-UHFFFAOYSA-N

ID: 93009

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)CC(C)=CCCC1(O)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -13.878

InChIKey:
CYOWSUGYDNXGNV-UHFFFAOYSA-N

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92989–93009 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