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Molecule Identifiers
Molecular Properties

ID: 34819

SMILES:
C1(C(C)=C)C=CC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.676

InChIKey:
ZAMUMCRWNSABLG-UHFFFAOYSA-N

ID: 34820

SMILES:
c1(CCCCC)cc2c(c(OC)c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.67

InChIKey:
GDMUINYFEZQOOV-UHFFFAOYSA-N

ID: 34821

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 34822

SMILES:
C1C(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 34823

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.706

InChIKey:
CREXFHHKCDNSEB-UHFFFAOYSA-N

ID: 34824

SMILES:
C(COc1c2c(cc(CCCC)c1)OC(C)(C)C1C2CC(C)(O)C1C)(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.564

CB1 binding score: -16.526

InChIKey:
PLJAHHYQHKVEFE-UHFFFAOYSA-N

ID: 34825

SMILES:
C(Cc1cc(O)c(C2C(C(C)=C)CCC(O)(C)C2O)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.243

InChIKey:
YSLLUWLXYWXWJY-UHFFFAOYSA-N

ID: 34826

SMILES:
Oc1cc(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.624

InChIKey:
ZZWZWPVQXHMOQM-UHFFFAOYSA-N

ID: 34827

SMILES:
CC1CCC2(C)C(c3c(OC)cc(CCC)cc3O2)C=C(C)CC2CC(O)(CCl)C(=O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 475.069

CB1 binding score: -16.245

InChIKey:
JGNFAYIJTYJCTO-UHFFFAOYSA-N

ID: 34828

SMILES:
C1(C=C(C)C)c2c(O)c(C(=O)O)c(CCCCC)cc2OC(C)(C)C1C1OC(=O)C(C2CC=C(C)C2=O)=C1C(C(=C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 590.713

CB1 binding score: -15.111

InChIKey:
XJBIIWFRDVLBIJ-UHFFFAOYSA-N

ID: 34829

SMILES:
C1C(C(C)C)C2=CC(C)=CC2c2c(O)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 310.481

CB1 binding score: -14.605

InChIKey:
YYBFJNGILWNWRO-UHFFFAOYSA-N

ID: 34830

SMILES:
CC(c1cc(OC2C=C(C)CCC2C(C)=C)c(O)c(OC)c1CC=C(C)C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -14.605

InChIKey:
KGDUQQKXXIIYCU-UHFFFAOYSA-N

ID: 34831

SMILES:
C(CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 34832

SMILES:
c1(CCCCC)cc(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: 34833

SMILES:
CC1(C)Oc2cc(C)ccc2C2C=CC(C(=C)C)C(C(=O)O)C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -14.051

InChIKey:
KGZQSTPVQMVJCH-UHFFFAOYSA-N

ID: 34834

SMILES:
CC1(CCC=C(C)C)C2C3(c4c(cc(CCCCC)cc4O)OC3C=C(C)CC2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.653

CB1 binding score: -15.048

InChIKey:
ZAWQILNXZBAYCY-UHFFFAOYSA-N

ID: 34835

SMILES:
CC(C)C(OC)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.129

InChIKey:
ANCOTHKPCGIJCC-UHFFFAOYSA-N

ID: 34836

SMILES:
c1(O)cc(CCCCC)cc(O)c1C1CC(C)=CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.129

InChIKey:
ZTGXAWYVTLUPDT-UHFFFAOYSA-N

ID: 34837

SMILES:
Oc1c(-c2c(C)ccc(C(C)C)c2)c(C)cc2c1C1C(C(C)(C)O2)CCC(C(=O)OC)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 434.576

CB1 binding score: -12.415

InChIKey:
IDWIHTNSVBGNTM-UHFFFAOYSA-N

ID: 34838

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 34839

SMILES:
c1c(CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C2)cc(O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -13.778

InChIKey:
HTLDQXOUAPTINS-UHFFFAOYSA-N

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34819–34839 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