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
- 33508
- Core Entity Id
- 40436
- Source Entity Count
- 1
- Preferred Name
- (+)-s-myricanol
- Name En
- Pubchem Id
- 11783303
- Smiles Canonical
- COC1=C2C=C(CCCCC(CCC3=CC2=C(C=C3)O)O)C(=C1OC)O
- Molecular Formula
- C21H26O5
- Molecular Weight
- 358.4340
- Inchikey
- SBGBAZQAEOWGFT-HNNXBMFYSA-N
- Inchi
- InChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3/t15-/m0/s1
- Isomeric Smiles
- COC1=C2C=C(CCCC[C@@H](CCC3=CC2=C(C=C3)O)O)C(=C1OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.8019
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-S-Myricanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-S-Myricanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-s-myricanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-s-myricanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
杨梅树皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YANG MEI SHU PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Waxmyrtle Bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Ar,11S-Myricanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Ar,11S-Myricanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(9S)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(9S)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:70081
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:70081
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1669197
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1669197
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myricanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Myricanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27138420
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27138420
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15113092
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15113092
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
杨梅树皮YANG MEI SHU PIChinese Waxmyrtle Bark(+)-Ar,11S-Myricanol(9S)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triolCHEBI:70081CHEMBL1669197MyricanolQ27138420SCHEMBL15113092
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044231
Npass
NPC269431
Tcmid
15151
Pub Chem
11783303
Tcmbank
TCMBANKIN037232
Etcm Ingredient
(+)-S-Myricanol
Itcmdb Generated
ITX-INGREDIENT-89577A6A51E4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3/t15-/m0/s1
Mol Wt
358.4340000000001
Mol Log P
3.801900000000004
In Ch Ikey
SBGBAZQAEOWGFT-HNNXBMFYSA-N
Tcm Name
杨梅树皮
Tcm Name2
YANG MEI SHU PI
Mol2 Path
/TCM_database/2007_3d_all/15159.mol2
Reference
4163
Num Hdonors
3
Tcm Name En
Chinese Waxmyrtle Bark
Drug Likeness
0.761
Num Hacceptors
5
Isomeric Smiles
COC1=C2C=C(CCCC[C@@H](CCC3=CC2=C(C=C3)O)O)C(=C1OC)O
Canonical Smiles
COC1=C2C=C(CCCCC(CCC3=CC2=C(C=C3)O)O)C(=C1OC)O
Herb Alias Names
(+)-Ar,11S-MyricanolMyricanolCHEBI:70081CHEMBL1669197SCHEMBL15113092Q27138420(9S)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol
Molecular Weight
358.180
Molecular Formula
C21H26O5
Molecular Formula
C21H26O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.901
Quantitative Estimate Of Drug Likeness（Qed）
0.761