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Molecule Identifiers
Molecular Properties

ID: 103720

SMILES:
CC1CCC(C(C)C)C(c2c(O)cc(CCC)cc2O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 103721

SMILES:
C1C(C(=C)C)C(c2cc(CCCC)cc(O)c2)C(C(C)(OC)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.056

InChIKey:
BFOKAONVFWYLBE-UHFFFAOYSA-N

ID: 103722

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 103723

SMILES:
c1(C)c(OC)cc2c(c1)OC1(C)CC(OC(=O)CCCCCCCCCCC)C(C(C)(C)O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 488.709

CB1 binding score: -16.943

InChIKey:
JAWGLDKSLQWPHF-UHFFFAOYSA-N

ID: 103724

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -19.381

InChIKey:
ZGUWKQMGZPIDQH-UHFFFAOYSA-N

ID: 103725

SMILES:
c1c(CCCCC)c(C=O)c(O)c(CC=C(C)CCC=C(C)C)c1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 358.522

CB1 binding score: -18.306

InChIKey:
ATQPCCSHOAUENO-UHFFFAOYSA-N

ID: 103726

SMILES:
C(C=C(CCC=C(C)C)C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 103727

SMILES:
C1(CO)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 103728

SMILES:
C(c1c(O)c2c3c(c1)OC(C)(C)C1CCC(C)(O3)CC12)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.254

InChIKey:
SUNLXYROURGBPK-UHFFFAOYSA-N

ID: 103729

SMILES:
O1c2c(c(O)cc(CCCCC)c2)CC2C(CC=C(C)C)=C(C)C(=O)C(O)C12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -16.438

InChIKey:
LZEXDENDZQLLBN-UHFFFAOYSA-N

ID: 103730

SMILES:
C1(O)C(C)=CC(c2c(OC)ccc(CCN)c2)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 301.43

CB1 binding score: -14.359

InChIKey:
IVNXYQIMGZOPLZ-UHFFFAOYSA-N

ID: 103731

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.898

InChIKey:
SUVXTOCRTNYFMQ-UHFFFAOYSA-N

ID: 103732

SMILES:
C12(C)c3c(O)cc(CCCCC)cc3OC1C1(C)C(CC(=O)C1)C(=C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.273

InChIKey:
IZGAPHQGNCIBPH-UHFFFAOYSA-N

ID: 103733

SMILES:
C(CC(=CCc1c(O)cc(CCC)cc1O)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 103734

SMILES:
CC(C)C1=CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.875

InChIKey:
MABLLFKQVKWWPG-UHFFFAOYSA-N

ID: 103735

SMILES:
C1C(O)C(C)=CC(c2c(O)ccc(C(C)(O)CCCCCCCC)c2)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -13.871

InChIKey:
LBVANLHNPXQCLB-UHFFFAOYSA-N

ID: 103736

SMILES:
c1cccc2c1c(CC=C(C)C)c(C1C(C(C)=C)CCC(C)=C1)c(O)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.514

CB1 binding score: -15.369

InChIKey:
BBEGLPVBQNRDOG-UHFFFAOYSA-N

ID: 103737

SMILES:
C(=O)(C)OC1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2OC)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.224

InChIKey:
CIUKAJSIHNUMOK-UHFFFAOYSA-N

ID: 103738

SMILES:
OC(C(C)=CCCC(C)=CCc1c(O)cc(CC(CC(=O)C(C)=CC)C)cc1O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -13.319

InChIKey:
OYINYNDVVNEEPG-UHFFFAOYSA-N

ID: 103739

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(CC=C1CCCCC)C(C(=C)C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -14.751

InChIKey:
KNFJJXHJYOMMPP-UHFFFAOYSA-N

ID: 103740

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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103720–103740 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