Browse

Molecule Identifiers
Molecular Properties

ID: 37528

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.173

InChIKey:
DKDZUPAJNXISCJ-UHFFFAOYSA-N

ID: 37529

SMILES:
O(C)c1c2c(c3c(c1)OCO3)CC(CCC=C(C)CCC=C(C)C)(C)Oc1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.709

CB1 binding score: -16.448

InChIKey:
OUXKVOFCORXNQA-UHFFFAOYSA-N

ID: 37530

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1(O)CCC(O)(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -19.37

InChIKey:
AGDPBAWDQDIWOX-UHFFFAOYSA-N

ID: 37531

SMILES:
CCCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 37532

SMILES:
COc1c(O)cc(CCCCC)c(C2C(C(=C)C)CCC(C)=C2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.754

InChIKey:
RMRFCSRSGZDFIT-UHFFFAOYSA-N

ID: 37533

SMILES:
C(C=C(C)C)CC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 37534

SMILES:
C1C2C(C)(C)C(C=C(C)C1)c1c(O)c(C(OC)C)cc(O)c1C=C2c1c(CCC)cc(O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.63

CB1 binding score: -16.502

InChIKey:
OBCNCOBYYPUONJ-UHFFFAOYSA-N

ID: 37535

SMILES:
C1(C)(O)C2c3c(cc(CCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -18.028

InChIKey:
HPIOBJRHEQPYEG-UHFFFAOYSA-N

ID: 37536

SMILES:
C=C(C1Cc2c(O)cc(CCC)cc2O1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: -17.334

InChIKey:
MINNLXKLTZAUST-UHFFFAOYSA-N

ID: 37537

SMILES:
c1(COc2c3c(cc(CCCCC)c2)OC(C)(CCC=C(C)C)C=C3)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 572.83

CB1 binding score: -15.178

InChIKey:
ZUSHZVCOVHOUJV-UHFFFAOYSA-N

ID: 37538

SMILES:
C1(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 37539

SMILES:
C(C)(CCCC(C)Cc1cc2c(c(O)c1O)CC1CC(C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -14.638

InChIKey:
JORMCTSURHKHSQ-UHFFFAOYSA-N

ID: 37540

SMILES:
C1CC(O)C2(C)Oc3c(c(O)cc(CCCCCC)c3)C3C2(C)C(CCC1C(C)C)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -13.196

InChIKey:
JDOZSAUGDOYDMQ-UHFFFAOYSA-N

ID: 37541

SMILES:
C1C(C)C2CCC(C)=C(O)C2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.196

InChIKey:
KQZGYNSYKCEIPU-UHFFFAOYSA-N

ID: 37542

SMILES:
C1(c2c(O)ccc(O)c2)C(O)C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.47

CB1 binding score: -16.978

InChIKey:
PFJDTMSRCWSSEH-UHFFFAOYSA-N

ID: 37543

SMILES:
CC1CC2C(C(C)(C)Oc3cc(CCCCCC)c(C(OC)=O)c(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.849

InChIKey:
LSIMCIOCSQFMSI-UHFFFAOYSA-N

ID: 37544

SMILES:
C1Cc2c(O)cc(CCCCC)c(C(=O)O)c2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -17.406

InChIKey:
SMPZXIFHTKJOLC-UHFFFAOYSA-N

ID: 37545

SMILES:
Cc1c(O)c(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.186

InChIKey:
XWMNHGVOSIHLHJ-UHFFFAOYSA-N

ID: 37546

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CC(O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 37547

SMILES:
C1C23C(CCC2)C(C)C1c1c(O)cc(CCCCC)cc1O3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -13.522

InChIKey:
LOAJDDPBBDTCJB-UHFFFAOYSA-N

ID: 37548

SMILES:
CC1=CC(=O)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.599

InChIKey:
DGLCOISFXWKWTL-UHFFFAOYSA-N

1785178617871788178917901791
37528–37548 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