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Molecule Identifiers
Molecular Properties

ID: 74803

SMILES:
O=C(C)OCc1cc(OC)c(C2C=C(C)CCC2C(=C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.966

InChIKey:
HDMQBFMMKUDLMM-UHFFFAOYSA-N

ID: 74804

SMILES:
COc1c(O)c(CC(C)C)c2c(c1O)C1C(C(C)(C)O2)CC(O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -14.293

InChIKey:
ZUMQJQZDVBUWEU-UHFFFAOYSA-N

ID: 74805

SMILES:
C(Cc1c(O)cc(CCCCC)cc1O)=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 74806

SMILES:
CC(=O)C1=C(C)CC2C(c3c(cc(CCCCC)cc3O)O1)C(C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: Not available

InChIKey:
JNWHEUKUUJLVGR-UHFFFAOYSA-N

ID: 74807

SMILES:
C12(C)OC1c1c(cc(CCCCC)cc1O)OC(C)(C)C(CC=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.929

InChIKey:
CPEGCZASWFFEKI-UHFFFAOYSA-N

ID: 74808

SMILES:
O=C(C)Oc1c(C(CCCC(C)C)(C)O)cc(OC(=O)CCC)c2c1OC(C)(C)C1CCCC(C)(C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 516.719

CB1 binding score: -15.982

InChIKey:
MKYMHJHAQBJYKE-UHFFFAOYSA-N

ID: 74809

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 74810

SMILES:
C1C(Cl)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1C(=CC=CC(C)=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 403.006

CB1 binding score: -13.05

InChIKey:
QNEAALILVQZRJR-UHFFFAOYSA-N

ID: 74811

SMILES:
C1C(C=C(CCC=C(C)C)C)Oc2cc(O)cc(CCCCC)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.052

InChIKey:
FRYFXCFGJQLSCA-UHFFFAOYSA-N

ID: 74812

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.492

CB1 binding score: -16.763

InChIKey:
ZCUOGYSJSUAQNM-UHFFFAOYSA-N

ID: 74813

SMILES:
C1(C(O)(C)C)C(c2c(O)cc(O)cc2CCCCC)C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.929

InChIKey:
MWXSQJVZUZYMTA-UHFFFAOYSA-N

ID: 74814

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -17.513

InChIKey:
YTVWRQUVFKUKDU-UHFFFAOYSA-N

ID: 74815

SMILES:
C(Cc1cc(O)cc(CC=C(C)CCC=C(C)C)c1O)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 74816

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(=C)C)CCC(C)=C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.481

CB1 binding score: -15.67

InChIKey:
HHJMVXJKVWSIMS-UHFFFAOYSA-N

ID: 74817

SMILES:
C(c1cc(O)c(C2(C)CC=CC(C)(C)O2)c(O)c1)CC=CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.206

InChIKey:
MHNUTDMOMFKDJT-UHFFFAOYSA-N

ID: 74818

SMILES:
C1(=O)C2Oc3c(c(O)cc(C)c3)C3OC(C)(C)C(C1)C3C=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -15.023

InChIKey:
FOGXQOSEHXDYQO-UHFFFAOYSA-N

ID: 74819

SMILES:
C(CC(=CCCC1(C)C(O)C2c3c(O)cc(CCCCC)cc3OC(c3ccc(O)cc3)C2O1)C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.628

CB1 binding score: -15.929

InChIKey:
MFDLXMGPSIVGFD-UHFFFAOYSA-N

ID: 74820

SMILES:
CC1(C)C2C1C1C(C3(OC3)CC2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.629

InChIKey:
FFWMOLKTQXOWJT-UHFFFAOYSA-N

ID: 74821

SMILES:
c1(-c2cc(O)cc(CCC(O)C(C)(O)C)c2)cccc(O)c1CC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -13.734

InChIKey:
PFIPNEJTWKJGOB-UHFFFAOYSA-N

ID: 74822

SMILES:
CC=Cc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.603

InChIKey:
GPZAQGQTQYAFFC-UHFFFAOYSA-N

ID: 74823

SMILES:
c1(CCC(=CCCC2(C)Oc3cc(C)cc(O)c3CC2C)C)c(O)ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -15.82

InChIKey:
DUZQMOWSYGETED-UHFFFAOYSA-N

3560356135623563356435653566
74803–74823 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