Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24695
- Core Entity Id
- 30641
- Source Entity Count
- 1
- Preferred Name
- Lindoldhamine
- Name En
- Pubchem Id
- 11957300
- Smiles Canonical
- COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5)OC)O)O)O
- Molecular Formula
- C34H36N2O6
- Molecular Weight
- 568.6700
- Inchikey
- DUBVXSGAOWUPMY-NSOVKSMOSA-N
- Inchi
- InChI=1S/C34H36N2O6/c1-40-32-16-22-9-11-35-27(25(22)18-30(32)38)13-20-3-6-24(7-4-20)42-34-15-21(5-8-29(34)37)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h3-8,15-19,27-28,35-39H,9-14H2,1-2H3/t27-,28-/m0/s1
- Isomeric Smiles
- COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H]5C6=CC(=C(C=C6CCN5)OC)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.4719
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lindoldhamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lindoldhamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lindoldhamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
黑壳楠
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HEI KE NAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Largeleaf Spicebush
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL1375576
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1375576
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000574975
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000574975
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000156304
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000156304
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黑壳楠HEI KE NANLargeleaf SpicebushCHEMBL1375576MLS000574975SMR000156304
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033318
Npass
NPC108434
Tcmid
12871
Tcm Id
22943
Pub Chem
11957300
Tcmbank
TCMBANKIN046515
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C34H36N2O6/c1-40-32-16-22-9-11-35-27(25(22)18-30(32)38)13-20-3-6-24(7-4-20)42-34-15-21(5-8-29(34)37)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h3-8,15-19,27-28,35-39H,9-14H2,1-2H3/t27-,28-/m0/s1
Mol Wt
568.6700000000005
Mol Log P
5.471900000000009
In Ch Ikey
DUBVXSGAOWUPMY-NSOVKSMOSA-N
Tcm Name
黑壳楠
Tcm Name2
HEI KE NAN
Mol2 Path
/TCM_database/2007_3d_all/12877.mol2
Reference
660
Num Hdonors
5
Tcm Name En
Largeleaf Spicebush
Drug Likeness
0.19
Num Hacceptors
8
Isomeric Smiles
COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H]5C6=CC(=C(C=C6CCN5)OC)O)O)O
Canonical Smiles
COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5)OC)O)O)O
Herb Alias Names
MLS000574975CHEMBL1375576SMR000156304
Molecular Weight
568.7 g/mol
Molecular Formula
C34H36N2O6
Num Rotatable Bonds
8