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
- 33703
- Core Entity Id
- 40658
- Source Entity Count
- 1
- Preferred Name
- Sphingolipid lipids01-521
- Name En
- Pubchem Id
- 10462735
- Smiles Canonical
- CCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=C(C)CCCCCCCCC)O)O
- Molecular Formula
- C42H79NO9
- Molecular Weight
- 742.0920
- Inchikey
- JSPNNZKWADNWHI-YSHSQTKCSA-N
- Inchi
- InChI=1S/C42H79NO9/c1-4-6-8-10-12-13-14-15-16-17-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-18-11-9-7-5-2/h26,28-29,34-40,42,44-49H,4-25,27,30-32H2,1-3H3,(H,43,50)/b29-26+,33-28+
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(/C=C/CC/C=C(\C)/CCCCCCCCC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.9142
- Num H Donors
- 7
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 33
- Drug Likeness
- 0.0280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sphingolipid Lipids01-521
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sphingolipid lipids01-521
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sphingolipid lipids01-521
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
爱丽思多孔菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AI LI SI DUO KONG JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ellisi Porous Agaric*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
爱丽思多孔菌AI LI SI DUO KONG JUNEllisi Porous Agaric*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044505
Npass
NPC301965
Tcmid
20138
Pub Chem
10462735
Tcmbank
TCMBANKIN045178
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C42H79NO9/c1-4-6-8-10-12-13-14-15-16-17-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-18-11-9-7-5-2/h26,28-29,34-40,42,44-49H,4-25,27,30-32H2,1-3H3,(H,43,50)/b29-26+,33-28+
Mol Wt
742.0919999999994
Mol Log P
6.914200000000012
In Ch Ikey
JSPNNZKWADNWHI-YSHSQTKCSA-N
Tcm Name
爱丽思多孔菌
Tcm Name2
AI LI SI DUO KONG JUN
Mol2 Path
/TCM_database/2007_3d_all/20154.mol2
Reference
2079
Num Hdonors
7
Tcm Name En
Ellisi Porous Agaric*
Drug Likeness
0.028
Num Hacceptors
9
Isomeric Smiles
CCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(/C=C/CC/C=C(\C)/CCCCCCCCC)O)O
Canonical Smiles
CCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=C(C)CCCCCCCCC)O)O
Molecular Formula
C42H79NO9
Num Rotatable Bonds
33