Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33509
- Core Entity Id
- 40437
- Source Entity Count
- 1
- Preferred Name
- (+)-s-myricanol 5-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 10973350
- Smiles Canonical
- COC1=C2C=C(CCCCC(CCC3=CC2=C(C=C3)O)O)C(=C1OC)OC4C(C(C(C(O4)CO)O)O)O
- Molecular Formula
- C27H36O10
- Molecular Weight
- 520.5750
- Inchikey
- NPSYWDNXSMBWKP-KUKUFDJQSA-N
- Inchi
- InChI=1S/C27H36O10/c1-34-25-18-12-15(5-3-4-6-16(29)9-7-14-8-10-19(30)17(18)11-14)24(26(25)35-2)37-27-23(33)22(32)21(31)20(13-28)36-27/h8,10-12,16,20-23,27-33H,3-7,9,13H2,1-2H3/t16-,20+,21+,22-,23+,27-/m0/s1
- Isomeric Smiles
- COC1=C2C=C(CCCC[C@@H](CCC3=CC2=C(C=C3)O)O)C(=C1OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.2750
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-s-myricanol 5-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-s-myricanol 5-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-S-Myricanol 5-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-S-Myricanol 5-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-S-Myricanol glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-S-Myricanol glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032961788
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032961788
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL5283461
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL5283461
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9895
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-9895
Role
alias
Source
itcmdb_public
Preferred
No
Name
J-500065
Role
alias
Source
HERB_v2
Preferred
No
Name
J-500065
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-S-Myricanol 5-beta-D-glucopyranoside(+)-S-Myricanol glucosideAKOS032961788CHEMBL5283461FS-9895J-500065
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044232
Tcmid
15156
Pub Chem
10973350
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H36O10/c1-34-25-18-12-15(5-3-4-6-16(29)9-7-14-8-10-19(30)17(18)11-14)24(26(25)35-2)37-27-23(33)22(32)21(31)20(13-28)36-27/h8,10-12,16,20-23,27-33H,3-7,9,13H2,1-2H3/t16-,20+,21+,22-,23+,27-/m0/s1
Mol Wt
520.5750000000003
Mol Log P
1.274999999999999
In Ch Ikey
NPSYWDNXSMBWKP-KUKUFDJQSA-N
Num Hdonors
6
Drug Likeness
0.339
Num Hacceptors
10
Isomeric Smiles
COC1=C2C=C(CCCC[C@@H](CCC3=CC2=C(C=C3)O)O)C(=C1OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical Smiles
COC1=C2C=C(CCCCC(CCC3=CC2=C(C=C3)O)O)C(=C1OC)OC4C(C(C(C(O4)CO)O)O)O
Herb Alias Names
(+)-S-Myricanol glucoside(+)-S-Myricanol 5-beta-D-glucopyranosideCHEMBL5283461AKOS032961788FS-9895J-500065
Molecular Formula
C27H36O10
Num Rotatable Bonds
5