Browse

Molecule Identifiers
Molecular Properties

ID: 141520

SMILES:
CC1=CC2C(CC1O)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 141521

SMILES:
CC(CC1CC(C)C2Oc3c(c(O)cc(CCCCC)c3)C12)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -14.796

InChIKey:
NPXKDKCOBMTJRF-UHFFFAOYSA-N

ID: 141522

SMILES:
CC1(C)CCCC(C)=C1c1c(OC)c(O)cc(CC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.048

InChIKey:
RFNCRFJWLGURPE-UHFFFAOYSA-N

ID: 141523

SMILES:
C12C(C)(C)Oc3ccc(CCCCC)cc3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 141524

SMILES:
c1c(O)c2c(c3c1OC(C)(C)C=C3)OC1(C)C(C2(C)C)CCC(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -11.581

InChIKey:
WWGXGVMDLLUKKI-UHFFFAOYSA-N

ID: 141525

SMILES:
CC1=CCC2C(C)(C)Oc3cc(C)c(Br)cc3C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 321.258

CB1 binding score: -17.7

InChIKey:
JVAPHQAMSGYOEB-UHFFFAOYSA-N

ID: 141526

SMILES:
C1(C)=CCCC(C)(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.431

InChIKey:
KZYODFMDQAJHGX-UHFFFAOYSA-N

ID: 141527

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141528

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(C)cc(CC(C)(C)CC)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -14.273

InChIKey:
YNCKLYSVOURUHU-UHFFFAOYSA-N

ID: 141529

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)cc(O)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.204

InChIKey:
MCOHBLINZXMLKV-UHFFFAOYSA-N

ID: 141530

SMILES:
CC(c1cc(O)c2c(c1)OC(C)(C)C1C2O1)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.306

CB1 binding score: Not available

InChIKey:
IWFNMNKPPORMCS-UHFFFAOYSA-N

ID: 141531

SMILES:
C1=CC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.675

InChIKey:
UVOJDINPIJWLRK-UHFFFAOYSA-N

ID: 141532

SMILES:
C(CCCC)c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1C(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 141533

SMILES:
C(CCCCc1c(O)cc2c(c1)OC(C)(C)C=C2)=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -13.319

InChIKey:
ZMNWDJHOYLYKQG-UHFFFAOYSA-N

ID: 141534

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(OC)C3CC1C3(O)C)O2)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -11.143

InChIKey:
LLDIGOCOBXFCTC-UHFFFAOYSA-N

ID: 141535

SMILES:
C(c1cc(OC)c(O)c(C2OC(c3c(O)cc(O)cc3)C3(CC(O)C(C)(C)O3)C(C)=C2)c1)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.562

CB1 binding score: -13.255

InChIKey:
RKTQXZLVBGFDPL-UHFFFAOYSA-N

ID: 141536

SMILES:
C1(C)(C)Oc2cc(CCC)cc(O)c2C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 141537

SMILES:
C1(C)=CC(c2cccc(O)c2)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.81

InChIKey:
RLNFSWIFLYYPPU-UHFFFAOYSA-N

ID: 141538

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 141539

SMILES:
C1C=C(CO)CCC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -15.018

InChIKey:
XSZVHWUCBGUBDZ-UHFFFAOYSA-N

ID: 141540

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

◀6737673867396740674167426743▶
141520–141540 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