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
- 12978
- Core Entity Id
- 17593
- Source Entity Count
- 1
- Preferred Name
- Brasillixanthone a
- Name En
- Pubchem Id
- 11668301
- Smiles Canonical
- CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=C(C(=C4)O)OC(C=C5)(C)C)O)C
- Molecular Formula
- C23H20O6
- Molecular Weight
- 392.4070
- Inchikey
- SVAULSXFOCUPQP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H20O6/c1-22(2)7-5-11-15(28-22)9-13(24)18-19(26)17-12-6-8-23(3,4)29-20(12)14(25)10-16(17)27-21(11)18/h5-10,24-25H,1-4H3
- Isomeric Smiles
- CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=C(C(=C4)O)OC(C=C5)(C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.7258
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Brasillixanthone A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Brasillixanthone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Brasillixanthone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
黑线条藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HEI XIAN TIAO TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nigroline Garcinia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黑线条藤黄HEI XIAN TIAO TENG HUANGNigroline Garcinia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018811
Npass
NPC195235
Tcmid
2595
Pub Chem
11668301
Tcmbank
TCMBANKIN043591
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H20O6/c1-22(2)7-5-11-15(28-22)9-13(24)18-19(26)17-12-6-8-23(3,4)29-20(12)14(25)10-16(17)27-21(11)18/h5-10,24-25H,1-4H3
Mol Wt
392.4070000000001
Mol Log P
4.725800000000004
In Ch Ikey
SVAULSXFOCUPQP-UHFFFAOYSA-N
Tcm Name
黑线条藤黄
Tcm Name2
HEI XIAN TIAO TENG HUANG
Mol2 Path
/TCM_database/2007_3d_all/02595.mol2
Reference
3482
Num Hdonors
2
Tcm Name En
Nigroline Garcinia*
Drug Likeness
0.538
Num Hacceptors
6
Isomeric Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=C(C(=C4)O)OC(C=C5)(C)C)O)C
Canonical Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=C(C(=C4)O)OC(C=C5)(C)C)O)C
Molecular Formula
C23H20O6
Num Rotatable Bonds
0