Browse

Molecule Identifiers
Molecular Properties

ID: 88369

SMILES:
C1C(CCCO)C(C)(C)Oc2cc(O)cc(C)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -15.042

InChIKey:
WGGLTFOMYVMOGQ-UHFFFAOYSA-N

ID: 88370

SMILES:
CC1CCCC(O)(C)C2=C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.574

InChIKey:
GPRQKKLPZWOISE-UHFFFAOYSA-N

ID: 88371

SMILES:
C(=CCCC1(C)Oc2cc(C)cc(O)c2C=C1)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.832

InChIKey:
FVHMHBIMJBJGMR-UHFFFAOYSA-N

ID: 88372

SMILES:
C1(O)CC(C(C)(C)O)OC1(c1c(O)cc(CCCCC)cc1OC1OC(COC(C)=O)C(O)C1O)COC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 570.632

CB1 binding score: -16.527

InChIKey:
ZGVMVJYEWSXZSJ-UHFFFAOYSA-N

ID: 88373

SMILES:
C(c1c(O)c(CC=C(C)CCC=C(C)C)cc(O)c1)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 88374

SMILES:
c1(CCCO)cc2c(c(O)c1)C1C(C(O)(C)CCC=C(C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.633

InChIKey:
QXHFWPVXXSVYCX-UHFFFAOYSA-N

ID: 88375

SMILES:
Oc1cc(CCC)cc2c1C1C3(C4C(OC3=O)C(C(C)C)CCC4(C)O2)C(=O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.471

CB1 binding score: -14.041

InChIKey:
RPHCJKVPPDAAOR-UHFFFAOYSA-N

ID: 88376

SMILES:
C(CC=C(C)CCC=C(C)C)Oc1c(O)c2c(c(C(=O)c3cccc(O)c3)c1O)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 562.703

CB1 binding score: -12.181

InChIKey:
IDZGVEXCVPAYCJ-UHFFFAOYSA-N

ID: 88377

SMILES:
CC(C)(C1C(c2c(O)cc(CCCCC)cc2O)C=C(CO)CC1)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -16.813

InChIKey:
DIBAMQYHQZIDKV-UHFFFAOYSA-N

ID: 88378

SMILES:
c1(CCCC)cc(O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.628

InChIKey:
YTNQWMDQORGQLU-UHFFFAOYSA-N

ID: 88379

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 88380

SMILES:
C1(C)(C)C2CC(C)C34C1c1c(cc(CCCCC)cc1O2)OC31OC(=O)C(C)=C1CC4

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -13.926

InChIKey:
ADQWWXCNLDLQCR-UHFFFAOYSA-N

ID: 88381

SMILES:
C1(C)(C)Oc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -18.509

InChIKey:
GYMCVCVNOOJXQB-UHFFFAOYSA-N

ID: 88382

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 88383

SMILES:
CC1C2C3CCC(C)C3C(c3c(O)c(C(=O)O)c(CCCCC)cc3O)OC2(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -14.664

InChIKey:
ZUNIPQOIILMOOK-UHFFFAOYSA-N

ID: 88384

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 88385

SMILES:
Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.328

InChIKey:
IWHYDYORMMBLMI-UHFFFAOYSA-N

ID: 88386

SMILES:
O(c1cc(O)c2c(c1)OC13CC(C(C)(C)O1)CC31C2CC=C(C)C1(C)CC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -15.508

InChIKey:
WHWIZJKEHVBYTK-UHFFFAOYSA-N

ID: 88387

SMILES:
C(CC(C)=CCCC(=CC(=O)Oc1c(OC)cc(CCc2cc(O)cc(O)c2)cc1O)CC=C(C)C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.682

CB1 binding score: -12.417

InChIKey:
VVTCNNRECIHRSE-UHFFFAOYSA-N

ID: 88388

SMILES:
C1(C)=CC2c3c(cc(CCCC)c(O)c3OC1(C)C)CC(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.56

InChIKey:
ILIZLAYNUKTUJT-UHFFFAOYSA-N

ID: 88389

SMILES:
C1(C)(C)C2C(C=C(C)CC2)c2cc(C(=O)OC)c(O)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -17.334

InChIKey:
ATQYDNYKKOURKB-UHFFFAOYSA-N

◀4206420742084209421042114212▶
88369–88389 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