Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 6Ingredient: 1Target: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9051
- Core Entity Id
- 13226
- Source Entity Count
- 1
- Preferred Name
- Fernene
- Name En
- Pubchem Id
- 441679
- Smiles Canonical
- CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCCC5(C)C)C)C)C)C
- Molecular Formula
- C30H50
- Molecular Weight
- 410.7300
- Inchikey
- ZHDRLFGZQZCZKX-BQOUFORSSA-N
- Inchi
- InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24+,25-,27-,28-,29-,30+/m1/s1
- Isomeric Smiles
- CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4[C@@H]3CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
- Cas Id
- 1615-99-2
- Ob Score
- 17.5295
- Mol Logp
- 9.0540
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3780
- Polar Surface Area
- 0.0000
- Molecular Volume
- 343.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9(11)-Fernene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9(11)-Fernene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-(11)-Fernene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9-(11)-fernene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-(11)-fernene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Davallene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Davallene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fernene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fernene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Fernene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Fernene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
davallene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
fernene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
铁丝七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TIE SI QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
American Maidenhair Fern
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3R,3aR,5aR,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
Role
alias
Source
TCMBank
Preferred
No
Name
(3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
Role
alias
Source
itcmdb_public
Preferred
No
Name
11201_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
1615-99-2
Role
alias
Source
HERB_v2
Preferred
No
Name
1615-99-2
Role
alias
Source
TCMBank
Preferred
No
Name
1615-99-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-(11)-fernene
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSVFS
Role
alias
Source
TCMBank
Preferred
No
Name
C08625
Role
alias
Source
TCMBank
Preferred
No
Name
C08625
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08625
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:5016
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:5016
Role
alias
Source
itcmdb_public
Preferred
No
Name
D:C-Friedo-B′:A′-neogammacer-9(11)-ene
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID40331608
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40331608
Role
alias
Source
HERB_v2
Preferred
No
Name
Fern-9(11)-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fern-9(11)-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
Fern-9(11)ene solution
Role
alias
Source
TCMBank
Preferred
No
Name
Fern-9-(11)-ene
Role
alias
Source
TCMBank
Preferred
No
Name
Fernene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fernene
Role
alias
Source
HERB_v2
Preferred
No
Name
Fernene
Role
alias
Source
TCMBank
Preferred
No
Name
Q27106625
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27106625
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fern-9-(11)-Ene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
fern-9(11)-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
骨碎补
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Drynaria fortumei
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
GU SUI BU
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
15.祛风湿药(23-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
wind-dampness dispelling medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.祛风湿强筋骨药(5-5)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-dampness dispelling and bone(sinew) strengthening medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
9(11)-Fernene9-(11)-FerneneDavallene铁丝七TIE SI QIAmerican Maidenhair Fern(3R,3aR,5aR,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene(3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene11201_FLUKA1615-99-2AC1NSVFSC08625CHEBI:5016D:C-Friedo-B′:A′-neogammacer-9(11)-eneDTXSID40331608Fern-9(11)-eneFern-9(11)ene solutionFern-9-(11)-eneQ27106625骨碎补Drynaria fortumeiGU SUI BU15.祛风湿药(23-26)wind-dampness dispelling medicinal3.祛风湿强筋骨药(5-5)wind-dampness dispelling and bone(sinew) strengthening medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
1615-99-2
Herb
HBIN013972HBIN022797HBIN026448
Npass
NPC108229NPC227542
Tcmid
2441130958359987757
Tcmsp
MOL002630MOL002631MOL009082
Sym Map
SMIT02124SMIT04841SMIT10263SMIT23927
Tcm Id
43745143
Pub Chem
441679
Tcmbank
TCMBANKIN033277TCMBANKIN047220TCMBANKIN059222TCMBANKIN036296
Etcm Ingredient
9(11)-Fernene9-(11)-FerneneFernenefern-9(11)-ene
Itcmdb Generated
ITX-INGREDIENT-27814FEE7476ITX-INGREDIENT-6CF0A345E62BITX-INGREDIENT-86362E23F33BITX-INGREDIENT-AEC8DD71755AITX-INGREDIENT-BDA64E153B01ITX-INGREDIENT-60C23C7F05A2ITX-INGREDIENT-AB72826AD951ITX-INGREDIENT-AE79FD2BA81D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
8
In Ch I
InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24+,25-,27-,28-,29-,30+/m1/s1
Mol Wt
410.7300000000002
Smiles
CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCCC5(C)C)C)C)C)C
37 Flag
37
C Count
30
Mol Log P
9.054000000000002
N Count
0
O Count
0
P Count
0
S Count
0
Version
v1v1,v2
In Ch Ikey
ZHDRLFGZQZCZKX-BQOUFORSSA-N
Ob Score
17.52951917.5295190217.536.9554783
Suppress
01
Tcm Name
铁丝七
Tcm Name2
TIE SI QI
Mol2 Path
/TCM_database/2007_3d_all/07758.mol2
Reference
6, 660
Num Hdonors
0
Tcm Name En
American Maidenhair Fern
Level1 Name
15.祛风湿药(23-26)
Level2 Name
3.祛风湿强筋骨药(5-5)
Num H Donors
0
Drug Likeness
0.378
Num Hacceptors
0
Level1 Name En
wind-dampness dispelling medicinal
Level2 Name En
wind-dampness dispelling and bone(sinew) strengthening medicinal
Isomeric Smiles
CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4[C@@H]3CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
Molecule Weight
410.8
Num H Acceptors
0
Canonical Smiles
CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCCC5(C)C)C)C)C)C
Herb Alias Names
FerneneFern-9(11)-ene1615-99-2(3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chryseneCHEBI:5016DTXSID40331608C08625Q27106625
Molecular Weight
396.380410.390
Molecular Volume
343
Molecular Weight
410.7 g/mol410.72
Molecule Formula
C30H50
Molecular Formula
C29H48C30H50
Molecular Formula
C30H50
Molecular Formula
C30H50
Num Rotatable Bonds
1
Link Ingredient Id
2124.0
Num Rotatable Bonds
1
Molecular Polar Surface Area
0
Fda Maximum Daily Dose (Fdamdd)
0.6100.8520.887
Quantitative Estimate Of Drug Likeness（Qed）
0.3780.389