Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2648
- Core Entity Id
- 6131
- Source Entity Count
- 1
- Preferred Name
- (2r)-phellodensin f
- Name En
- Pubchem Id
- 11641873
- Smiles Canonical
- CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
- Molecular Formula
- C26H30O10
- Molecular Weight
- 502.5160
- Inchikey
- BMYUIXRQCPBGKG-WNRSDRNQSA-N
- Inchi
- InChI=1S/C26H30O10/c1-12(2)3-8-15-19(35-26-24(33)23(32)22(31)20(11-27)36-26)10-17(30)21-16(29)9-18(34-25(15)21)13-4-6-14(28)7-5-13/h3-7,10,18,20,22-24,26-28,30-33H,8-9,11H2,1-2H3/t18-,20-,22-,23+,24-,26-/m1/s1
- Isomeric Smiles
- CC(=CCC1=C(C=C(C2=C1O[C@H](CC2=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.4917
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R)-Phellodensin F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r)-phellodensin f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r)-phellodensin f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
日本黄柏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN HUANG BAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japan Corktree*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R)-phellodensin-F
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本黄柏RI BEN HUANG BAIJapan Corktree*(2R)-phellodensin-F
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006550HBIN006551
Npass
NPC234741
Tcmid
1706039112
Pub Chem
11641873
Tcmbank
TCMBANKIN007257TCMBANKIN058776
Itcmdb Generated
ITX-INGREDIENT-EEDF5A054125
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H30O10/c1-12(2)3-8-15-19(35-26-24(33)23(32)22(31)20(11-27)36-26)10-17(30)21-16(29)9-18(34-25(15)21)13-4-6-14(28)7-5-13/h3-7,10,18,20,22-24,26-28,30-33H,8-9,11H2,1-2H3/t18-,20-,22-,23+,24-,26-/m1/s1
Mol Wt
502.5160000000001
Smiles
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
Mol Log P
1.4917
In Ch Ikey
BMYUIXRQCPBGKG-WNRSDRNQSA-N
Tcm Name
日本黄柏
Tcm Name2
RI BEN HUANG BAI
Mol2 Path
/TCM_database/2007_3d_all/17074.mol2
Reference
4502
Num Hdonors
6
Tcm Name En
Japan Corktree*
Drug Likeness
0.319
Num Hacceptors
10
Isomeric Smiles
CC(=CCC1=C(C=C(C2=C1O[C@H](CC2=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
Canonical Smiles
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
Molecular Weight
502.5 g/mol
Molecular Formula
C26H30O10
Molecular Formula
C26H30O10
Num Rotatable Bonds
6