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Molecule Identifiers
Molecular Properties

ID: 103489

SMILES:
C(C)(=C)C1C(c2ccccc2O)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 103490

SMILES:
c12cc(cc(O)c1)Oc1cc(O)cc(C)c1CC2C(C)(O)CCC=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -13.239

InChIKey:
XRNNVYPKNJVUKO-UHFFFAOYSA-N

ID: 103491

SMILES:
c1(OC)cccc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.702

InChIKey:
PFIFQGNGNGAHRV-UHFFFAOYSA-N

ID: 103492

SMILES:
c1(CC2C(C)(O)CCC2C(=C)C)C2c3c(OC)cc(=O)c(O)cc3OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.552

CB1 binding score: -14.675

InChIKey:
PWVUSZLNXQOFLO-UHFFFAOYSA-N

ID: 103493

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.605

InChIKey:
FKOKPCOQLHSURS-UHFFFAOYSA-N

ID: 103494

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.654

InChIKey:
MWDJYNZOIBISNT-UHFFFAOYSA-N

ID: 103495

SMILES:
C(c1cc(O)c2c(c1O)OC(C)(CCC=C(C)C)C=C2)C(CC(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -12.878

InChIKey:
IPMZAGIHLYELLE-UHFFFAOYSA-N

ID: 103496

SMILES:
c1(OCC(C2(C)CCCC2(C)C)=O)c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.032

InChIKey:
MIWMFTYDETXFJG-UHFFFAOYSA-N

ID: 103497

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1OC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.976

InChIKey:
PGFFULLVBBCSMB-UHFFFAOYSA-N

ID: 103498

SMILES:
C(CC)CCc1cc2c(c(O)c1)CC1C(CCC=C(C)CCC=C(C)C)(C)OC(=O)C1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -13.002

InChIKey:
HTJCLOUGONVHIE-UHFFFAOYSA-N

ID: 103499

SMILES:
C1(C)(CC)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.236

InChIKey:
ZJLSUAKSBPRRJC-UHFFFAOYSA-N

ID: 103500

SMILES:
C1(C)=CCC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.78

InChIKey:
XJWLMQVCAKFKPH-UHFFFAOYSA-N

ID: 103501

SMILES:
c1(CO)c2c(c(OC)cc1CCCCC)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.418

CB1 binding score: -14.576

InChIKey:
UBODHTDUAMETCR-UHFFFAOYSA-N

ID: 103502

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 103503

SMILES:
C1=Cc2c(c(O)cc(CCCCC)c2)C2C(C)(C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -16.192

InChIKey:
PLNUIUNDERXCRW-UHFFFAOYSA-N

ID: 103504

SMILES:
C(C)CCCc1cc(O)c(C(O)=C(C(CC=C(C)C)O)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.047

InChIKey:
FBUAKHQUOREMFD-UHFFFAOYSA-N

ID: 103505

SMILES:
C1c2cc(CCCCC)cc(O)c2C2(CC=C(C)C)OC2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -9.171

InChIKey:
KIDBOXXRRJDLMX-UHFFFAOYSA-N

ID: 103506

SMILES:
c1c(O)c2c(cc1C)OC1(C2(C)C)CCC(C)C1(CC=C(C)C)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -13.039

InChIKey:
GTPOLWHVXLZPGZ-UHFFFAOYSA-N

ID: 103507

SMILES:
Oc1c(C2C(C(=C)C)CCC(C(=O)O)=C2)c(O)cc(CCCCC)c1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.682

InChIKey:
CDHWVQYSIIZPMJ-UHFFFAOYSA-N

ID: 103508

SMILES:
C1(OC(C)=O)CC(C(C)=C)C(c2c(O)cc(CCC)cc2OC)C2(O)OC13C=CC(C)(CC2)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.578

CB1 binding score: -13.409

InChIKey:
LFZCPJNDUOFXEI-UHFFFAOYSA-N

ID: 103509

SMILES:
c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

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103489–103509 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