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
- 35346
- Core Entity Id
- 42476
- Source Entity Count
- 1
- Preferred Name
- Tomentosanol d
- Name En
- Pubchem Id
- 42607933
- Smiles Canonical
- CC(=C)C(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)O
- Molecular Formula
- C20H20O6
- Molecular Weight
- 356.3740
- Inchikey
- BCWBBALYWWRPII-IBYPIGCZSA-N
- Inchi
- InChI=1S/C20H20O6/c1-10(2)14(22)7-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)11-3-5-12(21)6-4-11/h3-6,8,14,18,21-24H,1,7,9H2,2H3/t14?,18-/m0/s1
- Isomeric Smiles
- CC(=C)C(CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9894
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tomentosanol D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tomentosanol d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tomentosanol d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
针叶血桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHEN YE XUE TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Conifer Macaranga
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
202054-73-7
Role
alias
Source
HERB_v2
Preferred
No
Name
202054-73-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:197145
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:197145
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140300
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140300
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
针叶血桐ZHEN YE XUE TONGConifer Macaranga(2S)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one202054-73-75,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanoneCHEBI:197145LMPK12140300
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046532
Npass
NPC136151
Tcmid
21424
Pub Chem
42607933
Tcmbank
TCMBANKIN048148
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O6/c1-10(2)14(22)7-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)11-3-5-12(21)6-4-11/h3-6,8,14,18,21-24H,1,7,9H2,2H3/t14?,18-/m0/s1
Mol Wt
356.3740000000001
Mol Log P
2.989400000000003
In Ch Ikey
BCWBBALYWWRPII-IBYPIGCZSA-N
Tcm Name
针叶血桐
Tcm Name2
ZHEN YE XUE TONG
Mol2 Path
/TCM_database/2007_3d_all/21440.mol2
Reference
5038
Num Hdonors
4
Tcm Name En
Conifer Macaranga
Drug Likeness
0.628
Num Hacceptors
6
Isomeric Smiles
CC(=C)C(CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)O
Canonical Smiles
CC(=C)C(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)O
Herb Alias Names
5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone(2S)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneCHEBI:197145LMPK12140300202054-73-7
Molecular Weight
356.4 g/mol
Molecular Formula
C20H20O6
Num Rotatable Bonds
4