Browse

Molecule Identifiers
Molecular Properties

ID: 131482

SMILES:
C1(C)=C(C(CC(C)C)c2c(O)cc(CCCCC)cc2O)CC(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -13.615

InChIKey:
PJASKVWAOJKHGD-UHFFFAOYSA-N

ID: 131483

SMILES:
CCCc1cc(O)c2c(c1)OC1(C)CCC(C)(C(=C)C)C(C2(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.575

InChIKey:
LWJOUOINIXVILL-UHFFFAOYSA-N

ID: 131484

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C(=O)O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.532

InChIKey:
VQHMFOOASCCVRX-UHFFFAOYSA-N

ID: 131485

SMILES:
C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.182

InChIKey:
XDWLGDRLOSXCEF-UHFFFAOYSA-N

ID: 131486

SMILES:
Cc1cc(OC)c(OC)cc1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.621

InChIKey:
IQMLMETVBAIELH-UHFFFAOYSA-N

ID: 131487

SMILES:
C(C=Cc1c(F)c(C(=O)O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.452

CB1 binding score: -14.605

InChIKey:
YMUMDEVVJKDNSP-UHFFFAOYSA-N

ID: 131488

SMILES:
c12c(c(O)cc(CCCCC)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 131489

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(CCC(COC(=O)C)=CCC(C(C)=C)C2)C(=O)OC1(C)O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.66

CB1 binding score: -16.015

InChIKey:
FLIPQWUYXFKLLE-UHFFFAOYSA-N

ID: 131490

SMILES:
C(CCC)C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.706

InChIKey:
CREXFHHKCDNSEB-UHFFFAOYSA-N

ID: 131491

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.522

InChIKey:
XTHXQACBFDXOKH-UHFFFAOYSA-N

ID: 131492

SMILES:
C(C1C(C)(C)O1)CC1(C)c2cc(OC)c(C)cc2OC(C)(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.522

InChIKey:
WSWAEDZDORZZJR-UHFFFAOYSA-N

ID: 131493

SMILES:
C12(O)C(O)CC(C)=CC1c1c(O)cc(CCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.502

InChIKey:
ZSFXCBZJURGPRX-UHFFFAOYSA-N

ID: 131494

SMILES:
C1(C(C)(O)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.141

InChIKey:
HEEJEKKEYJPCFA-UHFFFAOYSA-N

ID: 131495

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.1

InChIKey:
XFZHVLRQNJZPNV-UHFFFAOYSA-N

ID: 131496

SMILES:
c1(O)cc(CCCCC)cc2c1C1C3C(C)(C(CCC1C)C2)C(=O)C=C3C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -12.323

InChIKey:
HFSNQONSPZWIHL-UHFFFAOYSA-N

ID: 131497

SMILES:
C(=O)c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1CC=C(CCC=C(C)C(O)C1(O)CC(C(C)=C)C(CO)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 578.79

CB1 binding score: -15.856

InChIKey:
ODMNDSWCIJWZLP-UHFFFAOYSA-N

ID: 131498

SMILES:
CC(OC1C(O)C2C(C)(C)Oc3cc(C)cc(O)c3C2C=C1C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -14.535

InChIKey:
JZXWKXBVKMUZAD-UHFFFAOYSA-N

ID: 131499

SMILES:
C(c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.551

CB1 binding score: -17.083

InChIKey:
UDVYGMYEKIFGQW-UHFFFAOYSA-N

ID: 131500

SMILES:
c1(O)c(C=O)c(O)c(C(=O)C=C(C)C)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.446

CB1 binding score: -15.388

InChIKey:
XNOHQBWSNWWRGB-UHFFFAOYSA-N

ID: 131501

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC1=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.356

InChIKey:
YJCIUTUNIPHTIC-UHFFFAOYSA-N

ID: 131502

SMILES:
c1(CCC2CC(CCCC)OC2=O)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -16.078

InChIKey:
VTGQCXUYERHCSO-UHFFFAOYSA-N

◀6259626062616262626362646265▶
131482–131502 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