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
- 36923
- Core Entity Id
- 44238
- Source Entity Count
- 1
- Preferred Name
- Xylomaticin
- Name En
- Pubchem Id
- 10077684
- Smiles Canonical
- CCCCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O
- Molecular Formula
- C37H68O7
- Molecular Weight
- 624.9440
- Inchikey
- ZACKUCYGTZWFCP-HJMUGZSYSA-N
- Inchi
- InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-33(40)35-25-26-36(44-35)34(41)24-19-18-21-31(38)20-15-14-16-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31?,32+,33+,34+,35+,36+/m0/s1
- Isomeric Smiles
- CCCCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCC(CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 7.8415
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 28
- Drug Likeness
- 0.0520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Xylomaticin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Xylomaticin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Xylomaticin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
芳香木瓣树*
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FANG XIANG MU BAN SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Aromatic Xylopia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S)-2-methyl-4-((2R,13R)-2,8,13-trihydroxy-13-((2R,5R)-5-((1R)-1-hydroxypentadecyl)oxolan-2-yl)tridecyl)-2H-furan-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-methyl-4-[(2R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
155969-86-1
Role
alias
Source
HERB_v2
Preferred
No
Name
155969-86-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL507669
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL507669
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
芳香木瓣树*FANG XIANG MU BAN SHUAromatic Xylopia*(2S)-2-methyl-4-((2R,13R)-2,8,13-trihydroxy-13-((2R,5R)-5-((1R)-1-hydroxypentadecyl)oxolan-2-yl)tridecyl)-2H-furan-5-one(2S)-2-methyl-4-[(2R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one155969-86-1CHEMBL507669
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048525
Npass
NPC82795
Tcmid
22800
Pub Chem
10077684
Tcmbank
TCMBANKIN039279
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-33(40)35-25-26-36(44-35)34(41)24-19-18-21-31(38)20-15-14-16-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31?,32+,33+,34+,35+,36+/m0/s1
Mol Wt
624.9440000000006
Mol Log P
7.841500000000005
In Ch Ikey
ZACKUCYGTZWFCP-HJMUGZSYSA-N
Tcm Name
芳香木瓣树*
Tcm Name2
FANG XIANG MU BAN SHU
Mol2 Path
/TCM_database/2007_3d_all/22816.mol2
Reference
1521, 4617
Num Hdonors
4
Tcm Name En
Aromatic Xylopia*
Drug Likeness
0.052
Num Hacceptors
7
Isomeric Smiles
CCCCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCC(CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O
Canonical Smiles
CCCCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O
Herb Alias Names
(2S)-2-methyl-4-((2R,13R)-2,8,13-trihydroxy-13-((2R,5R)-5-((1R)-1-hydroxypentadecyl)oxolan-2-yl)tridecyl)-2H-furan-5-one(2S)-2-methyl-4-[(2R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]tridecyl]-2H-furan-5-oneCHEMBL507669155969-86-1
Molecular Weight
624.9 g/mol
Molecular Formula
C37H68O7
Num Rotatable Bonds
28